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

Systemtic Name: [(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-propan-2-yloxyethyl)azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(2-isopropoxyethyl)ammonium CAS Name: [(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-propan-2-yloxyethyl)ammonium IUPAC Name: [(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(2-propan-2-yloxyethyl)azanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(2-isopropoxyethyl)ammonium Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)OCC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

InChI

InChI=1S/C21H34N4O2/c1-4-11-25-19-9-8-17(22-10-14-27-16(2)3)15-18(19)20(23-25)21(26)24-12-6-5-7-13-24/h4,16-17,22H,1,5-15H2,2-3H3/p+1/t17-/m0/s1