(4-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-23-17-6-4-16(5-7-17)18(22)21-11-9-20(10-12-21)14-15-3-2-8-19-13-15/h2-8,13H,9-12,14H2,1H3/p+1