1-methyl-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-2-one

Systemtic Name: 1-methyl-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-2-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-3-nitro-quinolin-2-one CAS Name: 1-methyl-3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinolinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-3-nitroquinolin-2-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-3-nitro-carbostyril Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-22-18-10-6-5-9-17(18)19(20(21(22)26)25(27)28)24-13-11-23(12-14-24)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1