3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: 3-(3,4-dimethylphenyl)imino-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: 3-(3,4-dimethylphenyl)imino-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C22H26N3O+ MolecularWeight: 348.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H25N3O/c1-16-10-11-18(14-17(16)2)23-21-19-8-4-5-9-20(19)25(22(21)26)15-24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3/p+1