(3R)-3-[2-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-4-isopropyl-3-[2-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-4-isopropyl-3-[2-keto-2-[4-(6-methylpyridin-1-ium-2-yl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C19H31N5O2+2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3C(C)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3C(C)C

InChI

InChI=1S/C19H29N5O2/c1-14(2)24-8-7-20-19(26)16(24)13-18(25)23-11-9-22(10-12-23)17-6-4-5-15(3)21-17/h4-6,14,16H,7-13H2,1-3H3,(H,20,26)/p+2/t16-/m1/s1