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

Systemtic Name: 3-[(3R)-1-[3-(dimethylamino)phenyl]carbonylpiperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[[3-(dimethylamino)phenyl]-oxomethyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[3-(dimethylamino)benzoyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H35N4O2+ MolecularWeight: 387.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC(=CC=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C22H34N4O2/c1-23(2)20-8-4-7-19(16-20)22(28)26-11-5-6-18(17-26)9-10-21(27)25-14-12-24(3)13-15-25/h4,7-8,16,18H,5-6,9-15,17H2,1-3H3/p+1/t18-/m1/s1