N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-ethanoylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-ethanoylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl]-N-[2-(1-cyclohexenyl)ethyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-thiophene-2-carboxamide Formula: C31H39N4O2S+ MolecularWeight: 531.73196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C(=O)C)CN(CCC4=CCCCC4)C(=O)C5=CC=C(S5)C

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C(=O)C)CN(CCC4=CCCCC4)C(=O)C5=CC=C(S5)C

InChI

InChI=1S/C31H38N4O2S/c1-22-9-11-28-26(19-22)20-27(30(32-28)34-17-15-33(16-18-34)24(3)36)21-35(14-13-25-7-5-4-6-8-25)31(37)29-12-10-23(2)38-29/h7,9-12,19-20H,4-6,8,13-18,21H2,1-3H3/p+1