2-[4-(diethylamino)phenyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[4-(diethylamino)phenyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[4-(diethylamino)phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-(diethylamino)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[4-(diethylamino)phenyl]-3H-isoindol-2-ium-1-amine Traditional Name: [4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]-diethyl-amine Formula: C18H22N3+ MolecularWeight: 280.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C18H21N3/c1-3-20(4-2)15-9-11-16(12-10-15)21-13-14-7-5-6-8-17(14)18(21)19/h5-12,19H,3-4,13H2,1-2H3/p+1