[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3-pyrrol-1-ylphenyl)methanone Formula: C24H26N3O+ MolecularWeight: 372.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H25N3O/c28-24(22-11-6-12-23(20-22)26-14-4-5-15-26)27-18-16-25(17-19-27)13-7-10-21-8-2-1-3-9-21/h1-12,14-15,20H,13,16-19H2/p+1/b10-7+