3-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C23H36N6O+2 MolecularWeight: 412.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H34N6O/c1-19-21(16-25-26(19)2)18-27-11-5-6-20(17-27)8-9-23(30)29-14-12-28(13-15-29)22-7-3-4-10-24-22/h3-4,7,10,16,20H,5-6,8-9,11-15,17-18H2,1-2H3/p+2/t20-/m0/s1