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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]CC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O/c1-2-26-20-12-11-18(23-16-17-9-5-3-6-10-17)15-19(20)21(24-26)22(27)25-13-7-4-8-14-25/h3,5-6,9-10,18,23H,2,4,7-8,11-16H2,1H3/p+1/t18-/m1/s1