3-[(3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S)-1-[3-(5-methyl-1-pyrazolyl)-1-oxopropyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H35N6O2+ MolecularWeight: 439.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCC(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=NN1CCC(=O)N2CCC[C@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H34N6O2/c1-20-9-12-26-30(20)14-10-24(32)29-13-4-5-21(19-29)7-8-23(31)28-17-15-27(16-18-28)22-6-2-3-11-25-22/h2-3,6,9,11-12,21H,4-5,7-8,10,13-19H2,1H3/p+1/t21-/m0/s1