[(5R)-1-ethyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxynaphthalen-1-yl)methyl]azanium

Systemtic Name: [(5R)-1-ethyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxynaphthalen-1-yl)methyl]azanium Openeye Name: [(5R)-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxy-1-naphthyl)methyl]ammonium CAS Name: [(5R)-1-ethyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxy-1-naphthalenyl)methyl]ammonium IUPAC Name: [(5R)-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxynaphthalen-1-yl)methyl]azanium Traditional Name: [(5R)-1-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxy-1-naphthyl)methyl]ammonium Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]CC3=C(C=CC4=CC=CC=C43)OC)C(=N1)C(=O)N5CCCCC5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=C(C=CC4=CC=CC=C43)OC)C(=N1)C(=O)N5CCCCC5

InChI

InChI=1S/C27H34N4O2/c1-3-31-24-13-12-20(17-22(24)26(29-31)27(32)30-15-7-4-8-16-30)28-18-23-21-10-6-5-9-19(21)11-14-25(23)33-2/h5-6,9-11,14,20,28H,3-4,7-8,12-13,15-18H2,1-2H3/p+1/t20-/m1/s1