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

Systemtic Name: (3-ethoxy-3-oxidanylidene-propyl)-[(5S)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-ethoxy-3-oxo-propyl)ammonium CAS Name: (3-ethoxy-3-oxopropyl)-[(5S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-ethoxy-3-oxopropyl)-[(5S)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-ethoxy-3-keto-propyl)ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

Isomeric SMILES

CCOC(=O)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCSCC3

InChI

InChI=1S/C20H30N4O3S/c1-3-9-24-17-6-5-15(21-8-7-18(25)27-4-2)14-16(17)19(22-24)20(26)23-10-12-28-13-11-23/h3,15,21H,1,4-14H2,2H3/p+1/t15-/m0/s1