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

Systemtic Name: dimethyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-dimethyl-ammonium CAS Name: dimethyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: dimethyl-[(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-dimethyl-ammonium Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

Isomeric SMILES

C[NH+](C)[C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

InChI

InChI=1S/C18H28N4O/c1-4-10-22-16-9-8-14(20(2)3)13-15(16)17(19-22)18(23)21-11-6-5-7-12-21/h4,14H,1,5-13H2,2-3H3/p+1/t14-/m0/s1