[(5S)-3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-azanium

Systemtic Name: [(5S)-3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-azanium Openeye Name: [(5S)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-ammonium CAS Name: [(5S)-3-[1-azepanyl(oxo)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-ethylammonium IUPAC Name: [(5S)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-ethylazanium Traditional Name: [(5S)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-ammonium Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1CCC2=C(C1)C(=NN2CC)C(=O)N3CCCCCC3

Isomeric SMILES

CC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H30N4O/c1-3-19-14-9-10-16-15(13-14)17(20-22(16)4-2)18(23)21-11-7-5-6-8-12-21/h14,19H,3-13H2,1-2H3/p+1/t14-/m0/s1