N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C19H25N4O+ MolecularWeight: 325.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O/c1-15-3-4-16(2)18(13-15)21-19(24)23-11-9-22(10-12-23)14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)/p+1