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

Systemtic Name: [(5R)-3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopentyl-azanium Openeye Name: [(5R)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopentyl-ammonium CAS Name: [(5R)-3-[1-azepanyl(oxo)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopentylammonium IUPAC Name: [(5R)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopentylazanium Traditional Name: [(5R)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopentyl-ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CCCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H34N4O/c1-2-25-19-12-11-17(22-16-9-5-6-10-16)15-18(19)20(23-25)21(26)24-13-7-3-4-8-14-24/h16-17,22H,2-15H2,1H3/p+1/t17-/m1/s1