2-dimethylaminoethyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate

Systemtic Name: 2-dimethylaminoethyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate Openeye Name: 2-dimethylaminoethyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid 2-dimethylaminoethyl ester Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CN(C)CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C19H21N3O2/c1-21(2)11-12-24-19(23)14-7-9-16(10-8-14)22-13-15-5-3-4-6-17(15)18(22)20/h3-10,20H,11-13H2,1-2H3/p+1