3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

Systemtic Name: 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Openeye Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide CAS Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propionamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CCC2CC3=CC=CC=C3NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CC[C@H]2CC3=CC=CC=C3NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-23(11-10-20-18-19-6-4-5-9-22(19)26-24(20)30)25-12-13-27-14-16-28(17-15-27)21-7-2-1-3-8-21/h1-9,20H,10-18H2,(H,25,29)(H,26,30)/p+1/t20-/m0/s1