N-[(1S)-3-oxidanylidene-1-phenyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: N-[(1S)-3-oxidanylidene-1-phenyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide Openeye Name: N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide CAS Name: N-[(1S)-3-oxo-1-phenyl-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]benzamide IUPAC Name: N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzamide Traditional Name: N-[(1S)-3-keto-1-phenyl-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]benzamide Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c30-24(29-17-15-28(16-18-29)22-11-13-26-14-12-22)19-23(20-7-3-1-4-8-20)27-25(31)21-9-5-2-6-10-21/h1-14,23H,15-19H2,(H,27,31)/p+1/t23-/m0/s1