N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinoline-2-carboxamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinoline-2-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinoline-2-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-2-quinolinecarboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinoline-2-carboxamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinaldamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H28N4O2/c1-30-21-10-8-20(9-11-21)28-17-15-27(16-18-28)14-4-13-25-24(29)23-12-7-19-5-2-3-6-22(19)26-23/h2-3,5-12H,4,13-18H2,1H3,(H,25,29)/p+1