(1S,3R)-5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S,3R)-5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S,3R)-1,3-diallyl-5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S,3R)-5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S,3R)-5-nitro-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S,3R)-1,3-diallyl-5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CC2=C(C=CC=C2[N+](=O)[O-])C([NH2+]1)CC=C

Isomeric SMILES

C=CC[C@@H]1CC2=C(C=CC=C2[N+](=O)[O-])[C@@H]([NH2+]1)CC=C

InChI

InChI=1S/C15H18N2O2/c1-3-6-11-10-13-12(14(16-11)7-4-2)8-5-9-15(13)17(18)19/h3-5,8-9,11,14,16H,1-2,6-7,10H2/p+1/t11-,14+/m1/s1