(6R)-1-(3-methoxyphenyl)-6-methyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Openeye Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Traditional Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-pyridylmethyl)piperazin-4-ium-2-one Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CN=CC=C3

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CN=CC=C3

InChI

InChI=1S/C18H21N3O2/c1-14-11-20(12-15-5-4-8-19-10-15)13-18(22)21(14)16-6-3-7-17(9-16)23-2/h3-10,14H,11-13H2,1-2H3/p+1/t14-/m1/s1