(4-phenyl-1,3-thiazol-2-yl)methyl-[(5R)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (4-phenyl-1,3-thiazol-2-yl)methyl-[(5R)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenylthiazol-2-yl)methyl]ammonium CAS Name: [(5R)-3-[oxo(1-pyrrolidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenyl-2-thiazolyl)methyl]ammonium IUPAC Name: (4-phenyl-1,3-thiazol-2-yl)methyl-[(5R)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(4-phenylthiazol-2-yl)methyl]ammonium Formula: C25H30N5OS+ MolecularWeight: 448.6036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3=NC(=CS3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCC5

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=NC(=CS3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCC5

InChI

InChI=1S/C25H29N5OS/c1-2-12-30-22-11-10-19(15-20(22)24(28-30)25(31)29-13-6-7-14-29)26-16-23-27-21(17-32-23)18-8-4-3-5-9-18/h2-5,8-9,17,19,26H,1,6-7,10-16H2/p+1/t19-/m1/s1