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

Systemtic Name: N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[2-keto-2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]amino]ethyl]benzamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N5O3/c1-16(2)30-19-7-4-17(5-8-19)22(29)24-15-21(28)25-18-6-9-20(23-14-18)27-12-10-26(3)11-13-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,29)(H,25,28)/p+1