[3-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [3-[(2S)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [3-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C26H48N3O3+3 MolecularWeight: 450.67762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH+]1CCCC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

C[NH+](CCC[NH+]1CCCC1)CC2=CC(=C(C=C2)OC)OC[C@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C26H45N3O3/c1-27(13-10-18-28-14-8-9-15-28)20-23-11-12-25(31-2)26(19-23)32-22-24(30)21-29-16-6-4-3-5-7-17-29/h11-12,19,24,30H,3-10,13-18,20-22H2,1-2H3/p+3/t24-/m0/s1