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

Systemtic Name: N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-4-methoxy-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-cyclopropyl-4-methoxybenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-cyclopropyl-4-methoxybenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-4-methoxy-benzamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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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)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)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C28H32N4O3/c1-19-4-5-22-17-23(27(29-26(22)16-19)31-14-12-30(13-15-31)20(2)33)18-32(24-8-9-24)28(34)21-6-10-25(35-3)11-7-21/h4-7,10-11,16-17,24H,8-9,12-15,18H2,1-3H3/p+1