(3-chloranyl-4-methoxy-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4-methoxy-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4-methoxyphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4-methoxy-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C18H20ClN3O2/c1-24-17-3-2-15(12-16(17)19)18(23)22-10-8-21(9-11-22)13-14-4-6-20-7-5-14/h2-7,12H,8-11,13H2,1H3/p+1