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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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