(2S)-N-ethyl-N-(2-methylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-ethyl-N-(2-methylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-ethyl-N-(o-tolyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-ethyl-N-(2-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-ethyl-N-(2-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-ethyl-N-(o-tolyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O/c1-4-19(15-8-6-5-7-13(15)2)16(20)14(3)18-11-9-17-10-12-18/h5-8,14,17H,4,9-12H2,1-3H3/p+1/t14-/m0/s1