[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-propan-2-yl-azanium

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-propan-2-yl-azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-isopropyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-propan-2-ylammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-propan-2-ylazanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]-isopropyl-ammonium Formula: C20H37N3O3+2 MolecularWeight: 367.52608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCN(CC2)C)O

Isomeric SMILES

CC(C)[NH2+]CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCN(CC2)C)O

InChI

InChI=1S/C20H35N3O3/c1-16(2)21-13-17-6-7-19(25-4)20(12-17)26-15-18(24)14-23-9-5-8-22(3)10-11-23/h6-7,12,16,18,21,24H,5,8-11,13-15H2,1-4H3/p+2/t18-/m1/s1