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

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[(5S)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[(5S)-1-methyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-25(15-18-13-16-7-3-4-8-21(16)29-18)17-9-10-20-19(14-17)22(24-26(20)2)23(28)27-11-5-6-12-27/h3-4,7-8,13,17H,5-6,9-12,14-15H2,1-2H3/p+1/t17-/m0/s1