1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C20H32N3O2+ MolecularWeight: 346.48698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H31N3O2/c1-17-4-3-10-21(16-17)11-9-20(24)23-14-12-22(13-15-23)18-5-7-19(25-2)8-6-18/h5-8,17H,3-4,9-16H2,1-2H3/p+1/t17-/m0/s1