N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-5-methyl-thiophene-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-cyclopropyl-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-cyclopropyl-5-methylthiophene-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-5-methyl-thiophene-2-carboxamide Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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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(S4)C)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CC=C(S4)C)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C26H30N4O2S/c1-17-4-6-20-15-21(16-30(22-7-8-22)26(32)24-9-5-18(2)33-24)25(27-23(20)14-17)29-12-10-28(11-13-29)19(3)31/h4-6,9,14-15,22H,7-8,10-13,16H2,1-3H3/p+1