4-[(2-methoxy-5-methyl-phenyl)methyl]-N-pyridin-3-yl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-pyridin-3-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(3-pyridyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(3-pyridinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-pyridin-3-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-(3-pyridyl)piperazin-4-ium-1-carboxamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H24N4O2/c1-15-5-6-18(25-2)16(12-15)14-22-8-10-23(11-9-22)19(24)21-17-4-3-7-20-13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,24)/p+1