[4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-phenylpropyl)azanium

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(3-phenylpropyl)ammonium Formula: C26H40N2O3+2 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCC2=CC=CC=C2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCC2=CC=CC=C2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C26H38N2O3/c1-30-26-18-23(19-27-15-9-12-22-10-5-4-6-11-22)13-14-25(26)31-21-24(29)20-28-16-7-2-3-8-17-28/h4-6,10-11,13-14,18,24,27,29H,2-3,7-9,12,15-17,19-21H2,1H3/p+2/t24-/m1/s1