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

Systemtic Name: (2-methoxynaphthalen-1-yl)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-methoxy-1-naphthyl)methyl]ammonium CAS Name: (2-methoxy-1-naphthalenyl)methyl-[(5S)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (2-methoxynaphthalen-1-yl)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]-[(2-methoxy-1-naphthyl)methyl]ammonium Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C[NH2+]C3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C[NH2+][C@H]3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCOCC5

InChI

InChI=1S/C27H32N4O3/c1-3-12-31-24-10-9-20(17-22(24)26(29-31)27(32)30-13-15-34-16-14-30)28-18-23-21-7-5-4-6-19(21)8-11-25(23)33-2/h3-8,11,20,28H,1,9-10,12-18H2,2H3/p+1/t20-/m0/s1