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

Systemtic Name: 3-[(3R)-1-[3-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[[3-(dimethylamino)phenyl]-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C26H36N5O2+ MolecularWeight: 450.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O2/c1-28(2)23-9-5-8-22(19-23)26(33)31-14-6-7-21(20-31)11-12-25(32)30-17-15-29(16-18-30)24-10-3-4-13-27-24/h3-5,8-10,13,19,21H,6-7,11-12,14-18,20H2,1-2H3/p+1/t21-/m1/s1