[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium

Systemtic Name: [(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium Openeye Name: [(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium CAS Name: [(5R)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: [(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethylazanium Traditional Name: [(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O/c1-25-20-11-10-18(23-13-12-17-8-4-2-5-9-17)16-19(20)21(24-25)22(27)26-14-6-3-7-15-26/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3/p+1/t18-/m1/s1