[(1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-oxidanylideneazepan-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-isobutylphenyl)-2-(2-oxoazepan-1-yl)ethyl]ammonium CAS Name: [(1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-oxo-1-azepanyl)ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-oxoazepan-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-isobutylphenyl)-2-(2-ketoazepan-1-yl)ethyl]ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CN2CCCCCC2=O)[NH3+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@@H](CN2CCCCCC2=O)[NH3+]

InChI

InChI=1S/C18H28N2O/c1-14(2)12-15-7-9-16(10-8-15)17(19)13-20-11-5-3-4-6-18(20)21/h7-10,14,17H,3-6,11-13,19H2,1-2H3/p+1/t17-/m1/s1