(2S)-N-methyl-N-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-methyl-N-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-methyl-2-piperazin-4-ium-1-yl-N-(p-tolylmethyl)propanamide CAS Name: (2S)-N-methyl-N-[(4-methylphenyl)methyl]-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-methyl-N-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-methyl-N-(4-methylbenzyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-4-6-15(7-5-13)12-18(3)16(20)14(2)19-10-8-17-9-11-19/h4-7,14,17H,8-12H2,1-3H3/p+1/t14-/m0/s1