N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-phenoxy-benzamide Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c28-18-21-6-8-22(9-7-21)20-30-14-16-31(17-15-30)26(32)19-29-27(33)23-10-12-25(13-11-23)34-24-4-2-1-3-5-24/h1-13H,14-17,19-20H2,(H,29,33)/p+1