3,5-dimethyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,5-dimethyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3,5-dimethyl-N-[2-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]ethyl]-3,5-dimethyl-benzamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H27N5O2/c1-15-10-16(2)12-17(11-15)21(28)23-14-20(27)24-18-4-5-19(22-13-18)26-8-6-25(3)7-9-26/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,28)(H,24,27)/p+1