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

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide Formula: C23H33N6O2+ MolecularWeight: 425.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H32N6O2/c1-17(2)27-23(31)26-14-18-4-7-20(8-5-18)22(30)25-16-19-6-9-21(24-15-19)29-12-10-28(3)11-13-29/h4-9,15,17H,10-14,16H2,1-3H3,(H,25,30)(H2,26,27,31)/p+1