4-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]piperazine-1-carboxamide Openeye Name: 4-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]piperazine-1-carboxamide CAS Name: 4-(2-ethoxyphenyl)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]piperazine-1-carboxamide Traditional Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-o-phenetyl-piperazine-1-carboxamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NCCCN3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)NCCCN3CC[NH+](CC3)C

InChI

InChI=1S/C21H35N5O2/c1-3-28-20-8-5-4-7-19(20)25-15-17-26(18-16-25)21(27)22-9-6-10-24-13-11-23(2)12-14-24/h4-5,7-8H,3,6,9-18H2,1-2H3,(H,22,27)/p+1