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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: homoveratryl-methyl-[(5S)-1-methyl-3-(pyrrolidine-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)[NH+](C)CCC3=CC(=C(C=C3)OC)OC)C(=N1)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC)C(=N1)C(=O)N4CCCC4

InChI

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