(2R)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)butan-1-one

Systemtic Name: (2R)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)butan-1-one Openeye Name: (2R)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)butan-1-one CAS Name: (2R)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)-1-butanone IUPAC Name: (2R)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)butan-1-one Traditional Name: (2R)-2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)butan-1-one Formula: C18H18ClN2O+ MolecularWeight: 313.80132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)Cl)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CC[C@H](C(=O)C1=CC=C(C=C1)Cl)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C18H17ClN2O/c1-2-16(17(22)12-7-9-14(19)10-8-12)21-11-13-5-3-4-6-15(13)18(21)20/h3-10,16,20H,2,11H2,1H3/p+1/t16-/m1/s1