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

Systemtic Name: [(5S)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-yl-azanium Openeye Name: [(5S)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-isopropyl-ammonium CAS Name: [(5S)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylammonium IUPAC Name: [(5S)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylazanium Traditional Name: [(5S)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-isopropyl-ammonium Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H32N4O/c1-4-11-24-18-10-9-16(21-15(2)3)14-17(18)19(22-24)20(25)23-12-7-5-6-8-13-23/h4,15-16,21H,1,5-14H2,2-3H3/p+1/t16-/m0/s1