1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentane-1,5-dione IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentane-1,5-dione Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-5-(4-pyridin-1-ium-2-ylpiperazino)pentane-1,5-dione Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C21H32N4O2/c1-17-14-18(2)16-25(15-17)21(27)8-5-7-20(26)24-12-10-23(11-13-24)19-6-3-4-9-22-19/h3-4,6,9,17-18H,5,7-8,10-16H2,1-2H3/p+1/t17-,18-/m1/s1