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

Systemtic Name: (2-methylphenyl)methyl-[(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]-(o-tolylmethyl)ammonium CAS Name: (2-methylphenyl)methyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (2-methylphenyl)methyl-[(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]-(2-methylbenzyl)ammonium Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH2+][C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCC4

InChI

InChI=1S/C24H32N4O/c1-3-13-28-22-12-11-20(25-17-19-10-6-5-9-18(19)2)16-21(22)23(26-28)24(29)27-14-7-4-8-15-27/h3,5-6,9-10,20,25H,1,4,7-8,11-17H2,2H3/p+1/t20-/m0/s1