(4-ethylphenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (4-ethylphenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: (4-ethylphenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: (4-ethylphenyl)methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: (4-ethylbenzyl)-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C24H31N5+2 MolecularWeight: 389.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H29N5/c1-2-20-8-10-21(11-9-20)18-25-19-22-6-5-13-27-24(22)29-16-14-28(15-17-29)23-7-3-4-12-26-23/h3-13,25H,2,14-19H2,1H3/p+2