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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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