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

Systemtic Name: N-[(2S,3S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]butyl]benzamide CAS Name: N-[(2S,3S)-3-methyl-1-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-2-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]butyl]benzamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N5O2/c1-4-17(2)21(26-22(29)18-8-6-5-7-9-18)23(30)25-19-10-11-20(24-16-19)28-14-12-27(3)13-15-28/h5-11,16-17,21H,4,12-15H2,1-3H3,(H,25,30)(H,26,29)/p+1/t17-,21-/m0/s1