N-[(2R)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-methyl-3-nitro-benzamide Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c1-16-8-9-18(13-20(16)26(28)29)23(27)24-14-21(22-7-4-12-30-22)25-11-10-17-5-2-3-6-19(17)15-25/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,24,27)/p+1/t21-/m1/s1