(2S)-N-(9-ethylcarbazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide CAS Name: (2S)-N-(9-ethyl-3-carbazolyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propionamide Formula: C30H35N4O+ MolecularWeight: 467.6251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)[NH+]3CCN(CC3)CC=CC4=CC=CC=C4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C30H34N4O/c1-3-34-28-14-8-7-13-26(28)27-22-25(15-16-29(27)34)31-30(35)23(2)33-20-18-32(19-21-33)17-9-12-24-10-5-4-6-11-24/h4-16,22-23H,3,17-21H2,1-2H3,(H,31,35)/p+1/b12-9+/t23-/m0/s1