N-(anthracen-9-ylmethylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(anthracen-9-ylmethylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(9-anthrylmethyleneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(9-anthracenylmethylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(anthracen-9-ylmethylideneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(9-anthrylmethyleneamino)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C32H28N3O+ MolecularWeight: 470.58422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NN=CC4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NN=CC4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C32H27N3O/c36-32(25-15-13-23(14-16-25)21-35-18-17-24-7-1-2-10-28(24)22-35)34-33-20-31-29-11-5-3-8-26(29)19-27-9-4-6-12-30(27)31/h1-16,19-20H,17-18,21-22H2,(H,34,36)/p+1