azepan-1-yl-[(5R)-1-prop-2-enyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[(5R)-1-prop-2-enyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [(5R)-1-allyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[(5R)-1-prop-2-enyl-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-1-prop-2-enyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [(5R)-1-allyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C21H33N4OS+ MolecularWeight: 389.57792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H32N4OS/c1-2-9-25-19-8-7-17(23-12-14-27-15-13-23)16-18(19)20(22-25)21(26)24-10-5-3-4-6-11-24/h2,17H,1,3-16H2/p+1/t17-/m1/s1