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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-pyridin-3-ylethyl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-[2-(3-pyridyl)ethyl]ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-[2-(3-pyridinyl)ethyl]ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-pyridin-3-ylethyl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-[2-(3-pyridyl)ethyl]ammonium Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CC=C2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C24H35N3O3/c1-29-24-15-21(17-26-12-10-20-7-6-11-25-16-20)8-9-23(24)30-19-22(28)18-27-13-4-2-3-5-14-27/h6-9,11,15-16,22,26,28H,2-5,10,12-14,17-19H2,1H3/p+2/t22-/m1/s1