[(1S)-cyclohex-3-en-1-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: [(1S)-cyclohex-3-en-1-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: [(1S)-cyclohex-3-en-1-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: [(1S)-1-cyclohex-3-enyl]methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: [(1S)-cyclohex-3-en-1-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: [(1S)-cyclohex-3-en-1-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C22H31N5+2 MolecularWeight: 365.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29N5/c1-2-7-19(8-3-1)17-23-18-20-9-6-12-25-22(20)27-15-13-26(14-16-27)21-10-4-5-11-24-21/h1-2,4-6,9-12,19,23H,3,7-8,13-18H2/p+2/t19-/m1/s1