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

Systemtic Name: [(5R)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexyl-azanium Openeye Name: [(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexyl-ammonium CAS Name: [(5R)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexylammonium IUPAC Name: [(5R)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexylazanium Traditional Name: [(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclohexyl-ammonium Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H36N4O/c1-2-14-27-21-13-12-19(24-18-10-6-5-7-11-18)17-20(21)22(25-27)23(28)26-15-8-3-4-9-16-26/h2,18-19,24H,1,3-17H2/p+1/t19-/m1/s1