3-[(3R)-1-(2-methylpyridin-3-yl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(2-methylpyridin-3-yl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-methylpyridine-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(2-methyl-3-pyridinyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-methylnicotinoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H31N5O2/c1-19-21(7-4-12-25-19)24(31)29-13-5-6-20(18-29)9-10-23(30)28-16-14-27(15-17-28)22-8-2-3-11-26-22/h2-4,7-8,11-12,20H,5-6,9-10,13-18H2,1H3/p+1/t20-/m1/s1