methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C24H35N5O+2 MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H33N5O/c1-26(19-21-9-3-4-10-22(21)27-13-7-2-8-14-27)20-24(30)29-17-15-28(16-18-29)23-11-5-6-12-25-23/h3-6,9-12H,2,7-8,13-20H2,1H3/p+2