(2S)-2-(azepan-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-p-cumenyl-propionamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCCCCC2

InChI

InChI=1S/C18H28N2O/c1-14(2)16-8-10-17(11-9-16)19-18(21)15(3)20-12-6-4-5-7-13-20/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,19,21)/p+1/t15-/m0/s1