2-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[2-[(E)-2-(4-acetamidophenyl)vinyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-3,3-dimethyl-1-indol-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-3,3-dimethylindol-1-ium-1-yl]-N-benzylacetamide Traditional Name: 2-[2-[(E)-2-(4-acetamidophenyl)vinyl]-3,3-dimethyl-indol-1-ium-1-yl]-N-benzyl-acetamide Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O2/c1-21(33)31-24-16-13-22(14-17-24)15-18-27-29(2,3)25-11-7-8-12-26(25)32(27)20-28(34)30-19-23-9-5-4-6-10-23/h4-18H,19-20H2,1-3H3,(H,30,34)/p+1