(2S)-N-(3-ethylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-ethylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-ethylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(3-ethylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-ethylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-ethylphenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H23N3O/c1-3-13-5-4-6-14(11-13)17-15(19)12(2)18-9-7-16-8-10-18/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1