(2S)-2-piperazin-4-ium-1-yl-N-quinolin-8-yl-propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-quinolin-8-yl-propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-(8-quinolyl)propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-(8-quinolinyl)propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-quinolin-8-ylpropanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-(8-quinolyl)propionamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1N=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1N=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H20N4O/c1-12(20-10-8-17-9-11-20)16(21)19-14-6-2-4-13-5-3-7-18-15(13)14/h2-7,12,17H,8-11H2,1H3,(H,19,21)/p+1/t12-/m0/s1