N-(5-chloranyl-2-methyl-phenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H21ClN4O/c1-14-5-6-15(19)12-17(14)21-18(24)23-10-8-22(9-11-23)13-16-4-2-3-7-20-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/p+1