4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-quinolin-2-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)carbostyril Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2/c25-20-14-18(17-8-4-5-9-19(17)22-20)21(26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,22,25)/p+1