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

Systemtic Name: (2-methoxyphenyl)methyl-[(5S)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(2-methoxyphenyl)methyl]ammonium CAS Name: (2-methoxyphenyl)methyl-[(5S)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-[(5S)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-o-anisyl-ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH2+]C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1C[NH2+][C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCOCC4

InChI

InChI=1S/C23H30N4O3/c1-3-10-27-20-9-8-18(24-16-17-6-4-5-7-21(17)29-2)15-19(20)22(25-27)23(28)26-11-13-30-14-12-26/h3-7,18,24H,1,8-16H2,2H3/p+1/t18-/m0/s1