dimethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpyrrolidin-3-yl]azanium Openeye Name: dimethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]ammonium CAS Name: dimethyl-[(3S)-1-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]azanium Traditional Name: dimethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]ammonium Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-27(2)23-13-19-29(20-23)26(30)22-8-10-24(11-9-22)31-25-14-17-28(18-15-25)16-12-21-6-4-3-5-7-21/h3-11,23,25H,12-20H2,1-2H3/p+2/t23-/m0/s1