(3R)-4-cyclopentyl-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-cyclopentyl-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-cyclopentyl-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-cyclopentyl-3-[2-[4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-cyclopentyl-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-cyclopentyl-3-[2-[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C22H35N5O2+2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3C4CCCC4

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3C4CCCC4

InChI

InChI=1S/C22H33N5O2/c1-16-13-19(14-17(2)24-16)25-9-11-26(12-10-25)21(28)15-20-22(29)23-7-8-27(20)18-5-3-4-6-18/h13-14,18,20H,3-12,15H2,1-2H3,(H,23,29)/p+2/t20-/m1/s1