3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-diethyl-benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C25H34N4O2/c1-5-28(6-2)25(31)21-10-8-11-22(17-21)26-24(30)18-27-13-15-29(16-14-27)23-12-7-9-19(3)20(23)4/h7-12,17H,5-6,13-16,18H2,1-4H3,(H,26,30)/p+1