[2-[2-[4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-dimethyl-sulfino-azanium

Systemtic Name: [2-[2-[4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-dimethyl-sulfino-azanium Openeye Name: [2-[2-[4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]-dimethyl-sulfino-ammonium CAS Name: [2-[2-[4-methoxycarbonyl-2-(1-pyrrolidinylmethyl)-1-piperazinyl]-2-oxoethyl]phenyl]-dimethyl-sulfinoammonium IUPAC Name: [2-[2-[4-methoxycarbonyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]phenyl]-dimethyl-sulfinoazanium Traditional Name: [2-[2-[4-carbomethoxy-2-(pyrrolidinomethyl)piperazino]-2-keto-ethyl]phenyl]-dimethyl-sulfino-ammonium Formula: C21H33N4O5S+ MolecularWeight: 453.57552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=CC=C1CC(=O)N2CCN(CC2CN3CCCC3)C(=O)OC)S(=O)O

Isomeric SMILES

C[N+](C)(C1=CC=CC=C1CC(=O)N2CCN(CC2CN3CCCC3)C(=O)OC)S(=O)O

InChI

InChI=1S/C21H32N4O5S/c1-25(2,31(28)29)19-9-5-4-8-17(19)14-20(26)24-13-12-23(21(27)30-3)16-18(24)15-22-10-6-7-11-22/h4-5,8-9,18H,6-7,10-16H2,1-3H3/p+1