4-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O/c1-20-4-3-5-25(21(20)2)29-14-16-30(17-15-29)26(31)24-10-12-28(13-11-24)19-23-8-6-22(18-27)7-9-23/h3-9,24H,10-17,19H2,1-2H3/p+1