1-(2-methoxyquinolin-3-yl)-N-methyl-4-(3-propan-2-yloxyphenyl)piperazin-1-ium-1-carboxamide

Systemtic Name: 1-(2-methoxyquinolin-3-yl)-N-methyl-4-(3-propan-2-yloxyphenyl)piperazin-1-ium-1-carboxamide Openeye Name: 4-(3-isopropoxyphenyl)-1-(2-methoxy-3-quinolyl)-N-methyl-piperazin-1-ium-1-carboxamide CAS Name: 1-(2-methoxy-3-quinolinyl)-N-methyl-4-(3-propan-2-yloxyphenyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 1-(2-methoxyquinolin-3-yl)-N-methyl-4-(3-propan-2-yloxyphenyl)piperazin-1-ium-1-carboxamide Traditional Name: 4-(3-isopropoxyphenyl)-1-(2-methoxy-3-quinolyl)-N-methyl-piperazin-1-ium-1-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)N2CC[N+](CC2)(C3=CC4=CC=CC=C4N=C3OC)C(=O)NC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)N2CC[N+](CC2)(C3=CC4=CC=CC=C4N=C3OC)C(=O)NC

InChI

InChI=1S/C25H30N4O3/c1-18(2)32-21-10-7-9-20(17-21)28-12-14-29(15-13-28,25(30)26-3)23-16-19-8-5-6-11-22(19)27-24(23)31-4/h5-11,16-18H,12-15H2,1-4H3/p+1