butanedioic acid; N,N-dimethyl-2-[5-(methylaminomethylsulfonyl)-1H-indol-3-yl]ethanamine

Systemtic Name: butanedioic acid; N,N-dimethyl-2-[5-(methylaminomethylsulfonyl)-1H-indol-3-yl]ethanamine Openeye Name: N,N-dimethyl-2-[5-(methylaminomethylsulfonyl)-1H-indol-3-yl]ethanamine; succinic acid CAS Name: butanedioic acid; N,N-dimethyl-2-[5-(methylaminomethylsulfonyl)-1H-indol-3-yl]ethanamine IUPAC Name: butanedioic acid; N,N-dimethyl-2-[5-(methylaminomethylsulfonyl)-1H-indol-3-yl]ethanamine Traditional Name: dimethyl-[2-[5-(methylaminomethylsulfonyl)-1H-indol-3-yl]ethyl]amine; succinic acid Formula: C18H27N3O6S MolecularWeight: 413.48848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCS(=O)(=O)C1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CNCS(=O)(=O)C1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H21N3O2S.C4H6O4/c1-15-10-20(18,19)12-4-5-14-13(8-12)11(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)