N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H31N5O2+2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H29N5O2/c1-17-7-8-18(2)19(14-17)24-21(28)15-25(3)22(29)16-26-10-12-27(13-11-26)20-6-4-5-9-23-20/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)/p+2