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

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-methoxyphenyl)methyl-methyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-methyl-[(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-m-anisyl-methyl-ammonium Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O2/c1-4-13-29-23-12-11-20(27(2)18-19-9-8-10-21(16-19)31-3)17-22(23)24(26-29)25(30)28-14-6-5-7-15-28/h4,8-10,16,20H,1,5-7,11-15,17-18H2,2-3H3/p+1/t20-/m0/s1