[azanyl-[7-[(2S)-2-[4-[(3S)-1-(1-azanylethylidene)pyrrolidin-1-ium-3-yl]oxyphenyl]-3-oxidanyl-3-oxidanylidene-propyl]naphthalen-2-yl]methylidene]azanium

Systemtic Name: [azanyl-[7-[(2S)-2-[4-[(3S)-1-(1-azanylethylidene)pyrrolidin-1-ium-3-yl]oxyphenyl]-3-oxidanyl-3-oxidanylidene-propyl]naphthalen-2-yl]methylidene]azanium Openeye Name: [amino-[7-[(2S)-2-[4-[(3S)-1-(1-aminoethylidene)pyrrolidin-1-ium-3-yl]oxyphenyl]-3-hydroxy-3-oxo-propyl]-2-naphthyl]methylene]ammonium CAS Name: [amino-[7-[(2S)-2-[4-[[(3S)-1-(1-aminoethylidene)-3-pyrrolidin-1-iumyl]oxy]phenyl]-3-hydroxy-3-oxopropyl]-2-naphthalenyl]methylidene]ammonium IUPAC Name: [amino-[7-[(2S)-2-[4-[(3S)-1-(1-aminoethylidene)pyrrolidin-1-ium-3-yl]oxyphenyl]-3-hydroxy-3-oxopropyl]naphthalen-2-yl]methylidene]azanium Traditional Name: [amino-[7-[(2S)-2-[4-[(3S)-1-(1-aminoethylidene)pyrrolidin-1-ium-3-yl]oxyphenyl]-3-hydroxy-3-keto-propyl]-2-naphthyl]methylene]ammonium Formula: C26H30N4O3+2 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=[NH2+])N)C(=O)O)N

Isomeric SMILES

CC(=[N+]1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=[NH2+])N)C(=O)O)N

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H4,28,29,31,32)/p+2/t23-,24-/m0/s1