2-(3-methylphenoxy)-1-[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazine-1,4-diium-1-yl)-1-piperidyl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-(4-methyl-1-piperazine-1,4-diiumyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazine-1,4-diium-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazine-1,4-diium-1-yl)piperidino]ethanone Formula: C19H31N3O2+2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C19H29N3O2/c1-16-4-3-5-18(14-16)24-15-19(23)22-8-6-17(7-9-22)21-12-10-20(2)11-13-21/h3-5,14,17H,6-13,15H2,1-2H3/p+2