2-diethylaminoethyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H36N5O+ MolecularWeight: 398.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H35N5O/c1-4-28(5-2)16-15-24-19-11-12-21-20(17-19)22(26-27(21)3)23(29)25-14-13-18-9-7-6-8-10-18/h6-10,19,24H,4-5,11-17H2,1-3H3,(H,25,29)/p+1/t19-/m0/s1