(4-chlorophenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (4-chlorophenyl)methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (4-chlorophenyl)methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (4-chlorobenzyl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O/c14-11-6-4-10(5-7-11)9-16-12-3-1-2-8-15-13(12)17/h4-7,12,16H,1-3,8-9H2,(H,15,17)/p+1/t12-/m0/s1