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

Systemtic Name: (3-ethoxy-3-oxidanylidene-propyl)-[(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]-(3-ethoxy-3-oxo-propyl)ammonium CAS Name: (3-ethoxy-3-oxopropyl)-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-ethoxy-3-oxopropyl)-[(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]-(3-ethoxy-3-keto-propyl)ammonium Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

InChI

InChI=1S/C21H32N4O3/c1-3-12-25-18-9-8-16(22-11-10-19(26)28-4-2)15-17(18)20(23-25)21(27)24-13-6-5-7-14-24/h3,16,22H,1,4-15H2,2H3/p+1/t16-/m0/s1