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

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H18N4O/c1-11(18-7-5-16-6-8-18)14(19)17-13-4-2-3-12(9-13)10-15/h2-4,9,11,16H,5-8H2,1H3,(H,17,19)/p+1/t11-/m0/s1