(2S)-2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)[NH+]2CCCCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)[C@H](C)[NH+]2CCCCCC2)C

InChI

InChI=1S/C18H27N3O2/c1-13-8-9-16(14(2)12-13)19-18(23)20-17(22)15(3)21-10-6-4-5-7-11-21/h8-9,12,15H,4-7,10-11H2,1-3H3,(H2,19,20,22,23)/p+1/t15-/m0/s1