4-(5-chloranyl-2-methyl-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1-carboxamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carboxamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carboxamide Formula: C24H32ClN4O+ MolecularWeight: 427.99008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31ClN4O/c1-19-7-8-21(25)17-23(19)28-13-15-29(16-14-28)24(30)26-22-9-11-27(12-10-22)18-20-5-3-2-4-6-20/h2-8,17,22H,9-16,18H2,1H3,(H,26,30)/p+1