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

Systemtic Name: [(5R)-3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropyl-azanium Openeye Name: [(5R)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropyl-ammonium CAS Name: [(5R)-3-[1-azepanyl(oxo)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropylammonium IUPAC Name: [(5R)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropylazanium Traditional Name: [(5R)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropyl-ammonium Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C19H30N4O/c1-2-23-17-10-9-15(20-14-7-8-14)13-16(17)18(21-23)19(24)22-11-5-3-4-6-12-22/h14-15,20H,2-13H2,1H3/p+1/t15-/m1/s1