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

Systemtic Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-cyclopentylammonium IUPAC Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-cyclopentylazanium Traditional Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-cyclopentyl-ammonium Formula: C21H36N2O2+2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCCC3)O

InChI

InChI=1S/C21H34N2O2/c24-20(16-23-12-5-1-2-6-13-23)17-25-21-11-7-8-18(14-21)15-22-19-9-3-4-10-19/h7-8,11,14,19-20,22,24H,1-6,9-10,12-13,15-17H2/p+2/t20-/m0/s1