(2S)-N-(2-ethyl-6-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-ethyl-6-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-ethyl-6-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-ethyl-6-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-ethyl-6-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-ethyl-6-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)N2CC[NH2+]CC2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H25N3O/c1-4-14-7-5-6-12(2)15(14)18-16(20)13(3)19-10-8-17-9-11-19/h5-7,13,17H,4,8-11H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1