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

Systemtic Name: [(5R)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cycloheptyl-azanium Openeye Name: [(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cycloheptyl-ammonium CAS Name: [(5R)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cycloheptylammonium IUPAC Name: [(5R)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cycloheptylazanium Traditional Name: [(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cycloheptyl-ammonium Formula: C24H39N4O+ MolecularWeight: 399.59266

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H38N4O/c1-2-15-28-22-14-13-20(25-19-11-7-3-4-8-12-19)18-21(22)23(26-28)24(29)27-16-9-5-6-10-17-27/h2,19-20,25H,1,3-18H2/p+1/t20-/m1/s1