3-methyl-N-[(2S)-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-15-5-4-6-17(13-15)21(28)23-16(2)20(27)24-18-7-8-19(22-14-18)26-11-9-25(3)10-12-26/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,28)(H,24,27)/p+1/t16-/m0/s1