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

Systemtic Name: [(5S)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-diethyl-azanium Openeye Name: [(5S)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-diethyl-ammonium CAS Name: [(5S)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-diethylammonium IUPAC Name: [(5S)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-diethylazanium Traditional Name: [(5S)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-diethyl-ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O/c1-4-13-25-19-12-11-17(23(5-2)6-3)16-18(19)20(22-25)21(26)24-14-9-7-8-10-15-24/h4,17H,1,5-16H2,2-3H3/p+1/t17-/m0/s1