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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C19H24ClN4O3+ MolecularWeight: 391.87186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl)OC

InChI

InChI=1S/C19H23ClN4O3/c1-26-17-12-18(27-2)16(11-15(17)20)22-19(25)24-9-7-23(8-10-24)13-14-3-5-21-6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)/p+1