[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl]-methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [2-(2,3-dimethylanilino)-2-keto-ethyl]-[(3S)-2-ketoazepan-3-yl]-methyl-ammonium Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)C2CCCCNC2=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)[C@H]2CCCCNC2=O)C

InChI

InChI=1S/C17H25N3O2/c1-12-7-6-8-14(13(12)2)19-16(21)11-20(3)15-9-4-5-10-18-17(15)22/h6-8,15H,4-5,9-11H2,1-3H3,(H,18,22)(H,19,21)/p+1/t15-/m0/s1