6-methyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 6-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile CAS Name: 6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 6-methyl-2-[4-(2-thenoyl)piperazino]quinolin-1-ium-3-carbonitrile Formula: C20H19N4OS+ MolecularWeight: 363.45606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N4OS/c1-14-4-5-17-15(11-14)12-16(13-21)19(22-17)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3/p+1