[4-[(5R)-1-ethyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(5R)-1-ethyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(5R)-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(5R)-1-ethyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(5R)-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(5R)-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C24H34N5O2S+ MolecularWeight: 456.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C(=N1)C(=O)N5CCCCC5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C(=N1)C(=O)N5CCCCC5

InChI

InChI=1S/C24H33N5O2S/c1-2-29-20-9-8-18(17-19(20)22(25-29)24(31)27-10-4-3-5-11-27)26-12-14-28(15-13-26)23(30)21-7-6-16-32-21/h6-7,16,18H,2-5,8-15,17H2,1H3/p+1/t18-/m1/s1