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

Systemtic Name: 3-[(3R)-1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3,5-dimethylphenyl)methyl]-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3,5-dimethylbenzyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C26H38N4O+2 MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C26H36N4O/c1-21-16-22(2)18-24(17-21)20-28-11-5-6-23(19-28)8-9-26(31)30-14-12-29(13-15-30)25-7-3-4-10-27-25/h3-4,7,10,16-18,23H,5-6,8-9,11-15,19-20H2,1-2H3/p+2/t23-/m1/s1