4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(m-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(3-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-(m-tolyl)piperazin-4-ium-1-carboxamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H25N3O2/c1-16-3-2-4-19(13-16)22-21(25)24-10-8-23(9-11-24)15-17-5-6-20-18(14-17)7-12-26-20/h2-6,13-14H,7-12,15H2,1H3,(H,22,25)/p+1