N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-[(4-chloranyl-3-methyl-phenoxy)methyl]benzamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-[(4-chloranyl-3-methyl-phenoxy)methyl]benzamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-[(4-chloro-3-methyl-phenoxy)methyl]benzamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-[(4-chloro-3-methylphenoxy)methyl]benzamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-[(4-chloro-3-methylphenoxy)methyl]benzamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-[(4-chloro-3-methyl-phenoxy)methyl]benzamide Formula: C23H21ClN3O2+ MolecularWeight: 406.88474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N)Cl

InChI

InChI=1S/C23H20ClN3O2/c1-15-12-19(10-11-21(15)24)29-14-16-6-8-17(9-7-16)23(28)26-27-13-18-4-2-3-5-20(18)22(27)25/h2-12,25H,13-14H2,1H3,(H,26,28)/p+1