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

Systemtic Name: 2-methylpropyl-[(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]-isobutyl-ammonium CAS Name: 2-methylpropyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-methylpropyl-[(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]-isobutyl-ammonium Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O/c1-4-10-24-18-9-8-16(21-14-15(2)3)13-17(18)19(22-24)20(25)23-11-6-5-7-12-23/h4,15-16,21H,1,5-14H2,2-3H3/p+1/t16-/m0/s1