N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-3,4-dimethoxy-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-3,4-dimethoxy-benzamide Formula: C29H35N4O4+ MolecularWeight: 503.6126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CC(=C(C=C4)OC)OC)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CC(=C(C=C4)OC)OC)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C29H34N4O4/c1-19-5-6-21-16-23(28(30-25(21)15-19)32-13-11-31(12-14-32)20(2)34)18-33(24-8-9-24)29(35)22-7-10-26(36-3)27(17-22)37-4/h5-7,10,15-17,24H,8-9,11-14,18H2,1-4H3/p+1