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

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzamide Formula: C21H30N4O2+2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC2=C([NH+]=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O2/c1-16(2)27-19-8-6-17(7-9-19)21(26)23-15-18-5-4-10-22-20(18)25-13-11-24(3)12-14-25/h4-10,16H,11-15H2,1-3H3,(H,23,26)/p+2