N-[(3-methylphenyl)methyl]-3-piperazin-4-ium-1-yl-propanamide

Systemtic Name: N-[(3-methylphenyl)methyl]-3-piperazin-4-ium-1-yl-propanamide Openeye Name: N-(m-tolylmethyl)-3-piperazin-4-ium-1-yl-propanamide CAS Name: N-[(3-methylphenyl)methyl]-3-(1-piperazin-4-iumyl)propanamide IUPAC Name: N-[(3-methylphenyl)methyl]-3-piperazin-4-ium-1-ylpropanamide Traditional Name: N-(3-methylbenzyl)-3-piperazin-4-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)CCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)CCN2CC[NH2+]CC2

InChI

InChI=1S/C15H23N3O/c1-13-3-2-4-14(11-13)12-17-15(19)5-8-18-9-6-16-7-10-18/h2-4,11,16H,5-10,12H2,1H3,(H,17,19)/p+1