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

Systemtic Name: 3-[(3R)-1-(3,4-dimethylphenyl)carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(3,4-dimethylbenzoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3,4-dimethylphenyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(3,4-dimethylbenzoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C26H34N4O2/c1-20-8-10-23(18-21(20)2)26(32)30-13-5-6-22(19-30)9-11-25(31)29-16-14-28(15-17-29)24-7-3-4-12-27-24/h3-4,7-8,10,12,18,22H,5-6,9,11,13-17,19H2,1-2H3/p+1/t22-/m1/s1