1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCC5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCC5

InChI

InChI=1S/C22H26N4OS/c1-25-19-9-8-16(23-14-17-12-15-6-2-3-7-20(15)28-17)13-18(19)21(24-25)22(27)26-10-4-5-11-26/h2-3,6-7,12,16,23H,4-5,8-11,13-14H2,1H3/p+1/t16-/m1/s1