[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(1-o-anisylpiperidin-1-ium-4-yl)methanone Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC=C4OC)C

InChI

InChI=1S/C26H35N3O2/c1-20-7-6-9-24(21(20)2)28-15-17-29(18-16-28)26(30)22-11-13-27(14-12-22)19-23-8-4-5-10-25(23)31-3/h4-10,22H,11-19H2,1-3H3/p+1