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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: homoveratryl-methyl-[(5S)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C25H37N4O3+ MolecularWeight: 441.58628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3/c1-27(15-12-18-8-11-22(31-3)23(16-18)32-4)19-9-10-21-20(17-19)24(26-28(21)2)25(30)29-13-6-5-7-14-29/h8,11,16,19H,5-7,9-10,12-15,17H2,1-4H3/p+1/t19-/m0/s1