(2S)-N-[(3-methylphenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(3-methylphenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(m-tolylmethyl)-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(3-methylphenyl)methyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(3-methylphenyl)methyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-methylbenzyl)-2-piperazin-1-ium-1-yl-propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C(C)[NH+]2CCNCC2

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)[C@H](C)[NH+]2CCNCC2

InChI

InChI=1S/C15H23N3O/c1-12-4-3-5-14(10-12)11-17-15(19)13(2)18-8-6-16-7-9-18/h3-5,10,13,16H,6-9,11H2,1-2H3,(H,17,19)/p+1/t13-/m0/s1