(4-tert-butylphenyl)-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (4-tert-butylphenyl)-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (4-tert-butylphenyl)-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (4-tert-butylphenyl)-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (4-tert-butylphenyl)-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (4-tert-butylphenyl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[NH2+]C2CCCCNC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[NH2+][C@H]2CCCCNC2=O

InChI

InChI=1S/C16H24N2O/c1-16(2,3)12-7-9-13(10-8-12)18-14-6-4-5-11-17-15(14)19/h7-10,14,18H,4-6,11H2,1-3H3,(H,17,19)/p+1/t14-/m0/s1