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

Systemtic Name: N-[(1S)-3-oxidanylidene-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: N-[(1S)-3-oxo-1-phenyl-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzamide CAS Name: N-[(1S)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: N-[(1S)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: N-[(1S)-3-keto-1-phenyl-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c31-25(30-17-15-29(16-18-30)20-21-11-13-27-14-12-21)19-24(22-7-3-1-4-8-22)28-26(32)23-9-5-2-6-10-23/h1-14,24H,15-20H2,(H,28,32)/p+1/t24-/m0/s1