(2S)-N-(2,3-dimethylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2,3-dimethylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,3-dimethylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,3-dimethylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,3-dimethylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,3-dimethylphenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2)C

InChI

InChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)17-15(19)13(3)18-9-7-16-8-10-18/h4-6,13,16H,7-10H2,1-3H3,(H,17,19)/p+1/t13-/m0/s1