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

Systemtic Name: methyl-[6-methyl-2-oxidanylidene-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-3-yl]-oxidanylidene-azanium Openeye Name: [1-benzyl-6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-quinolyl]-methyl-oxo-ammonium CAS Name: methyl-[6-methyl-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(phenylmethyl)-3-quinolinyl]-oxoammonium IUPAC Name: [1-benzyl-6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]-methyl-oxoazanium Traditional Name: [1-benzyl-2-keto-6-methyl-4-[4-(2-thenoyl)piperazino]-3-quinolyl]-keto-methyl-ammonium Formula: C27H27N4O3S+ MolecularWeight: 487.59328

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)C)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N4O3S/c1-19-10-11-22-21(17-19)24(29-12-14-30(15-13-29)26(32)23-9-6-16-35-23)25(28(2)34)27(33)31(22)18-20-7-4-3-5-8-20/h3-11,16-17H,12-15,18H2,1-2H3/q+1