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

Systemtic Name: [(5R)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropyl-azanium Openeye Name: [(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropyl-ammonium CAS Name: [(5R)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropylammonium IUPAC Name: [(5R)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropylazanium Traditional Name: [(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclopropyl-ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-2-11-24-18-10-9-16(21-15-7-8-15)14-17(18)19(22-24)20(25)23-12-5-3-4-6-13-23/h2,15-16,21H,1,3-14H2/p+1/t16-/m1/s1