N-cyclopropyl-2-[4-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5)OC

InChI

InChI=1S/C27H30N4O4/c1-34-24-10-7-18(15-25(24)35-2)23-16-21(20-5-3-4-6-22(20)29-23)27(33)31-13-11-30(12-14-31)17-26(32)28-19-8-9-19/h3-7,10,15-16,19H,8-9,11-14,17H2,1-2H3,(H,28,32)/p+1