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

Systemtic Name: [4-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [4-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [4-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [4-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-cycloheptylazanium Traditional Name: [4-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-cycloheptyl-ammonium Formula: C24H42N2O3+2 MolecularWeight: 406.60188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OC[C@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C24H40N2O3/c1-28-24-16-20(17-25-21-10-6-2-3-7-11-21)12-13-23(24)29-19-22(27)18-26-14-8-4-5-9-15-26/h12-13,16,21-22,25,27H,2-11,14-15,17-19H2,1H3/p+2/t22-/m0/s1