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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-methoxyethyl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-methoxyethyl)ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxyethyl)ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxyethyl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-methoxyethyl)ammonium Formula: C20H36N2O4+2 MolecularWeight: 368.51084

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCC2)O)OC

Isomeric SMILES

COCC[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCC2)O)OC

InChI

InChI=1S/C20H34N2O4/c1-24-12-9-21-14-17-7-8-19(20(13-17)25-2)26-16-18(23)15-22-10-5-3-4-6-11-22/h7-8,13,18,21,23H,3-6,9-12,14-16H2,1-2H3/p+2/t18-/m1/s1