3,4-dimethyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C

InChI

InChI=1S/C21H26N4O2/c1-16-3-4-19(13-17(16)2)21(27)23-14-20(26)25-11-9-24(10-12-25)15-18-5-7-22-8-6-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)/p+1