2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C23H27N5O2/c24-10-3-11-28-16-18(20-4-1-2-5-21(20)28)6-9-23(30)27-14-12-26(13-15-27)17-22(29)25-19-7-8-19/h1-2,4-6,9,16,19H,3,7-8,11-15,17H2,(H,25,29)/p+1/b9-6+