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

Systemtic Name: 3-[(3R)-1-(1-methylcyclohexyl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1-methylcyclohexanecarbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(1-methylcyclohexyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(1-methylcyclohexanecarbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1-methylcyclohexanecarbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C25H39N4O2+ MolecularWeight: 427.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1(CCCCC1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H38N4O2/c1-25(12-4-2-5-13-25)24(31)29-15-7-8-21(20-29)10-11-23(30)28-18-16-27(17-19-28)22-9-3-6-14-26-22/h3,6,9,14,21H,2,4-5,7-8,10-13,15-20H2,1H3/p+1/t21-/m1/s1