N-cyclopropyl-N-[[7-methoxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-cyclopropyl-N-[[7-methoxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-cyclopropyl-N-[[7-methoxy-2-[methyl-[(2-methylthiazol-4-yl)methyl]amino]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-cyclopropyl-N-[[7-methoxy-2-[methyl-[(2-methyl-4-thiazolyl)methyl]amino]-3-quinolin-1-iumyl]methyl]cyclohexanecarboxamide IUPAC Name: N-cyclopropyl-N-[[7-methoxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-cyclopropyl-N-[[7-methoxy-2-[methyl-[(2-methylthiazol-4-yl)methyl]amino]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide Formula: C27H35N4O2S+ MolecularWeight: 479.6574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN(C)C2=C(C=C3C=CC(=CC3=[NH+]2)OC)CN(C4CC4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=NC(=CS1)CN(C)C2=C(C=C3C=CC(=CC3=[NH+]2)OC)CN(C4CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C27H34N4O2S/c1-18-28-22(17-34-18)16-30(2)26-21(13-20-9-12-24(33-3)14-25(20)29-26)15-31(23-10-11-23)27(32)19-7-5-4-6-8-19/h9,12-14,17,19,23H,4-8,10-11,15-16H2,1-3H3/p+1