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

Systemtic Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-cyclobutyl-azanium Openeye Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-cyclobutyl-ammonium CAS Name: [3-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-cyclobutylammonium IUPAC Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-cyclobutylazanium Traditional Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-cyclobutyl-ammonium Formula: C20H34N2O2+2 MolecularWeight: 334.49616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCC3)O

InChI

InChI=1S/C20H32N2O2/c23-19(15-22-11-3-1-2-4-12-22)16-24-20-10-5-7-17(13-20)14-21-18-8-6-9-18/h5,7,10,13,18-19,21,23H,1-4,6,8-9,11-12,14-16H2/p+2/t19-/m0/s1