1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-3-(4-methoxyphenyl)imino-indol-2-one

Systemtic Name: 1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-3-(4-methoxyphenyl)imino-indol-2-one Openeye Name: 1-(azepan-1-ium-1-ylmethyl)-5-bromo-3-(4-methoxyphenyl)imino-indolin-2-one CAS Name: 1-(1-azepan-1-iumylmethyl)-5-bromo-3-(4-methoxyphenyl)imino-2-indolone IUPAC Name: 1-(azepan-1-ium-1-ylmethyl)-5-bromo-3-(4-methoxyphenyl)iminoindol-2-one Traditional Name: 1-(azepan-1-ium-1-ylmethyl)-5-bromo-3-(4-methoxyphenyl)imino-oxindole Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C22H24BrN3O2/c1-28-18-9-7-17(8-10-18)24-21-19-14-16(23)6-11-20(19)26(22(21)27)15-25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3/p+1