1-azanyl-1-methyl-3-(4-methylpiperidin-1-yl)carbonyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one dihydrochloride

Systemtic Name: 1-azanyl-1-methyl-3-(4-methylpiperidin-1-yl)carbonyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one dihydrochloride Openeye Name: 1-amino-1-methyl-3-(4-methylpiperidine-1-carbonyl)-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one dihydrochloride CAS Name: 1-amino-1-methyl-3-[(4-methyl-1-piperidinyl)-oxomethyl]-3-(1-pyridin-4-yl-4-piperidinyl)-2-piperazin-1-iumone dihydrochloride IUPAC Name: 1-amino-1-methyl-3-(4-methylpiperidine-1-carbonyl)-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one dihydrochloride Traditional Name: 1-amino-1-methyl-3-(4-methylpiperidine-1-carbonyl)-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one dihydrochloride Formula: C22H37Cl2N6O2+ MolecularWeight: 488.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2(C(=O)[N+](CCN2)(C)N)C3CCN(CC3)C4=CC=NC=C4.Cl.Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)C2(C(=O)[N+](CCN2)(C)N)C3CCN(CC3)C4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C22H35N6O2.2ClH/c1-17-5-12-27(13-6-17)20(29)22(21(30)28(2,23)16-11-25-22)18-7-14-26(15-8-18)19-3-9-24-10-4-19;;/h3-4,9-10,17-18,25H,5-8,11-16,23H2,1-2H3;2*1H/q+1;;