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

Systemtic Name: phenethyl-[(5R)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium CAS Name: [(5R)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: phenethyl-[(5R)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C24H32N4O/c1-2-15-28-22-12-11-20(25-14-13-19-9-5-3-6-10-19)18-21(22)23(26-28)24(29)27-16-7-4-8-17-27/h2-3,5-6,9-10,20,25H,1,4,7-8,11-18H2/p+1/t20-/m1/s1