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

Systemtic Name: butyl-[(5S)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)azanium Openeye Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-benzyl-butyl-ammonium CAS Name: butyl-[(5S)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[(5S)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-benzyl-butyl-ammonium Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCOCC4

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCOCC4

InChI

InChI=1S/C26H36N4O2/c1-3-5-14-29(20-21-9-7-6-8-10-21)22-11-12-24-23(19-22)25(27-30(24)13-4-2)26(31)28-15-17-32-18-16-28/h4,6-10,22H,2-3,5,11-20H2,1H3/p+1/t22-/m0/s1