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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-cyclopentyl-azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-cyclopentyl-ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-cyclopentylammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-cyclopentylazanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-cyclopentyl-ammonium Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCC2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCC2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C22H36N2O3/c1-26-22-14-18(15-23-19-8-4-5-9-19)10-11-21(22)27-17-20(25)16-24-12-6-2-3-7-13-24/h10-11,14,19-20,23,25H,2-9,12-13,15-17H2,1H3/p+2/t20-/m1/s1