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

Systemtic Name: (1-ethoxycarbonylpiperidin-4-yl)-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (1-ethoxycarbonyl-4-piperidyl)-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (1-ethoxycarbonyl-4-piperidinyl)-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (1-ethoxycarbonylpiperidin-4-yl)-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H38N5O3S+ MolecularWeight: 464.64452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]C3CCN(CC3)C(=O)OCC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]C3CCN(CC3)C(=O)OCC)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C23H37N5O3S/c1-3-9-28-20-6-5-18(24-17-7-10-27(11-8-17)23(30)31-4-2)16-19(20)21(25-28)22(29)26-12-14-32-15-13-26/h17-18,24H,3-16H2,1-2H3/p+1/t18-/m1/s1