(2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: (2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(1-piperidyl)propan-1-one CAS Name: (2S)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-piperidin-1-ylpropan-1-one Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-piperidino-propan-1-one Formula: C19H30N3O3S+ MolecularWeight: 380.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O3S/c1-17(19(23)21-10-6-3-7-11-21)20-12-14-22(15-13-20)26(24,25)16-18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/p+1/t17-/m0/s1