N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-ethanoylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-ethanoylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-thienyl)acetamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl]-N-[2-(1-cyclohexenyl)ethyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-ylacetamide Traditional Name: N-[[2-(4-acetylpiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-thienyl)acetamide 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)CC5=CSC=C5

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C(=O)C)CN(CCC4=CCCCC4)C(=O)CC5=CSC=C5

InChI

InChI=1S/C31H38N4O2S/c1-23-8-9-29-27(18-23)20-28(31(32-29)34-15-13-33(14-16-34)24(2)36)21-35(12-10-25-6-4-3-5-7-25)30(37)19-26-11-17-38-22-26/h6,8-9,11,17-18,20,22H,3-5,7,10,12-16,19,21H2,1-2H3/p+1