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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

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