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

Systemtic Name: [(5S)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-azanium Openeye Name: [(5S)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-ammonium CAS Name: [(5S)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methylammonium IUPAC Name: [(5S)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methylazanium Traditional Name: [(5S)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-butyl-methyl-ammonium Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O/c1-4-6-14-24(3)18-11-12-20-19(17-18)21(23-26(20)13-5-2)22(27)25-15-9-7-8-10-16-25/h5,18H,2,4,6-17H2,1,3H3/p+1/t18-/m0/s1