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

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C25H34N3O+ MolecularWeight: 392.55696

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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=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H33N3O/c1-20-7-6-10-24(21(20)2)27-15-17-28(18-16-27)25(29)23-11-13-26(14-12-23)19-22-8-4-3-5-9-22/h3-10,23H,11-19H2,1-2H3/p+1