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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-methoxypropyl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(3-methoxypropyl)ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-methoxypropyl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(3-methoxypropyl)ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O4/c1-25-13-7-10-22-15-18-8-9-20(21(14-18)26-2)27-17-19(24)16-23-11-5-3-4-6-12-23/h8-9,14,19,22,24H,3-7,10-13,15-17H2,1-2H3/p+2/t19-/m1/s1