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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5S)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5S)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: homoveratryl-[(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O3/c1-27-20-9-8-18(25-12-11-17-7-10-21(30-2)22(15-17)31-3)16-19(20)23(26-27)24(29)28-13-5-4-6-14-28/h7,10,15,18,25H,4-6,8-9,11-14,16H2,1-3H3/p+1/t18-/m0/s1