[(5S)-3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-azanium

Systemtic Name: [(5S)-3-(azepan-1-ylcarbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-azanium Openeye Name: [(5S)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-ammonium CAS Name: [(5S)-3-[1-azepanyl(oxo)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methylammonium IUPAC Name: [(5S)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methylazanium Traditional Name: [(5S)-3-(azepane-1-carbonyl)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-ammonium Formula: C21H37N4O+ MolecularWeight: 361.54468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O/c1-4-6-13-23(3)17-11-12-19-18(16-17)20(22-25(19)5-2)21(26)24-14-9-7-8-10-15-24/h17H,4-16H2,1-3H3/p+1/t17-/m0/s1