prop-2-enyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: prop-2-enyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: allyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylammonium IUPAC Name: prop-2-enyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: allyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CC=C)C(=N1)C(=O)N3CCSCC3

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CC=C)C(=N1)C(=O)N3CCSCC3

InChI

InChI=1S/C18H28N4OS/c1-3-7-19-14-5-6-16-15(13-14)17(20-22(16)8-4-2)18(23)21-9-11-24-12-10-21/h3,14,19H,1,4-13H2,2H3/p+1/t14-/m1/s1