[(E)-2-methylbut-2-enyl]-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: [(E)-2-methylbut-2-enyl]-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [(E)-2-methylbut-2-enyl]-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: [(E)-2-methylbut-2-enyl]-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: [(E)-2-methylbut-2-enyl]-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: [(E)-2-methylbut-2-enyl]-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]ammonium Formula: C20H30N5+3 MolecularWeight: 340.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH2+]CC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C/C=C(\C)/C[NH2+]CC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H27N5/c1-3-17(2)15-21-16-18-7-6-10-23-20(18)25-13-11-24(12-14-25)19-8-4-5-9-22-19/h3-10,21H,11-16H2,1-2H3/p+3/b17-3+