[(4R)-2,2-dimethyloxan-4-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: [(4R)-2,2-dimethyloxan-4-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: [(4R)-2,2-dimethyl-4-oxanyl]methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: [(4R)-2,2-dimethyloxan-4-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]methyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C23H35N5O+2 MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1(C[C@@H](CCO1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H33N5O/c1-23(2)16-19(8-15-29-23)17-24-18-20-6-5-10-26-22(20)28-13-11-27(12-14-28)21-7-3-4-9-25-21/h3-7,9-10,19,24H,8,11-18H2,1-2H3/p+2/t19-/m1/s1