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

Systemtic Name: methyl-(1,2-oxazol-3-ylmethyl)-[(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]-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: 3-isoxazolylmethyl-methyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: methyl-(1,2-oxazol-3-ylmethyl)-[(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]-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-3-10-26-19-8-7-17(24(2)15-16-9-13-28-23-16)14-18(19)20(22-26)21(27)25-11-5-4-6-12-25/h3,9,13,17H,1,4-8,10-12,14-15H2,2H3/p+1/t17-/m0/s1