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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-cyclohexyl-azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-cyclohexylazanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-cyclohexyl-ammonium Formula: C23H40N2O3+2 MolecularWeight: 392.5753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCC2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCC2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C23H38N2O3/c1-27-23-15-19(16-24-20-9-5-4-6-10-20)11-12-22(23)28-18-21(26)17-25-13-7-2-3-8-14-25/h11-12,15,20-21,24,26H,2-10,13-14,16-18H2,1H3/p+2/t21-/m1/s1