[1,6-dimethyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-3-yl]-methyl-oxidanylidene-azanium

Systemtic Name: [1,6-dimethyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-3-yl]-methyl-oxidanylidene-azanium Openeye Name: [1,6-dimethyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-quinolyl]-methyl-oxo-ammonium CAS Name: [1,6-dimethyl-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinyl]-methyl-oxoammonium IUPAC Name: [1,6-dimethyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]-methyl-oxoazanium Traditional Name: keto-[2-keto-1,6-dimethyl-4-[4-(2-thenoyl)piperazino]-3-quinolyl]-methyl-ammonium Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)C)C

InChI

InChI=1S/C21H23N4O3S/c1-14-6-7-16-15(13-14)18(19(23(3)28)21(27)22(16)2)24-8-10-25(11-9-24)20(26)17-5-4-12-29-17/h4-7,12-13H,8-11H2,1-3H3/q+1