sodium (9S)-9-(benzimidazol-1-id-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Systemtic Name: sodium (9S)-9-(benzimidazol-1-id-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Openeye Name: sodium (9S)-9-(benzimidazol-1-id-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine CAS Name: sodium (9S)-9-(2-benzimidazol-1-idylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine IUPAC Name: sodium (9S)-9-(benzimidazol-1-id-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Traditional Name: sodium (9S)-9-(benzimidazol-1-id-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Formula: C18H18N3NaO2S MolecularWeight: 363.40919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCCCC(C2=NC=C1)S(=O)C3=NC4=CC=CC=C4[N-]3.[Na+]

Isomeric SMILES

COC1=C2CCCC[C@@H](C2=NC=C1)S(=O)C3=NC4=CC=CC=C4[N-]3.[Na+]

InChI

InChI=1S/C18H18N3O2S.Na/c1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18;/h3-4,7-8,10-11,16H,2,5-6,9H2,1H3;/q-1;+1/t16-,24?;/m0./s1