N-[[2-(4-ethanoylpiperazin-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)-2-thiophen-3-yl-ethanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)-2-(3-thienyl)acetamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-7-methoxy-3-quinolin-1-iumyl]methyl]-N-(2-methoxyethyl)-2-(3-thiophenyl)acetamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methoxyquinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)-2-thiophen-3-ylacetamide Traditional Name: N-[[2-(4-acetylpiperazino)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)-2-(3-thienyl)acetamide Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)OC)CN(CCOC)C(=O)CC4=CSC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)OC)CN(CCOC)C(=O)CC4=CSC=C4

InChI

InChI=1S/C26H32N4O4S/c1-19(31)28-7-9-29(10-8-28)26-22(15-21-4-5-23(34-3)16-24(21)27-26)17-30(11-12-33-2)25(32)14-20-6-13-35-18-20/h4-6,13,15-16,18H,7-12,14,17H2,1-3H3/p+1