5-bromanyl-N-[3-[2-(naphthalen-1-ylcarbonylamino)ethylamino]-3-oxidanylidene-propyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 5-bromanyl-N-[3-[2-(naphthalen-1-ylcarbonylamino)ethylamino]-3-oxidanylidene-propyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 5-bromo-N-[3-[2-(naphthalene-1-carbonylamino)ethylamino]-3-oxo-propyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 5-bromo-N-[3-[2-[[1-naphthalenyl(oxo)methyl]amino]ethylamino]-3-oxopropyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 5-bromo-N-[3-[2-(naphthalene-1-carbonylamino)ethylamino]-3-oxopropyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide chloride Traditional Name: 5-bromo-N-[3-keto-3-[2-(1-naphthoylamino)ethylamino]propyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide chloride Formula: C31H32BrClN4O3 MolecularWeight: 623.96778

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCNC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCNC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H31BrN4O3.ClH/c1-2-18-35-21-24(20-25(32)22-35)31(39)36(26-11-4-3-5-12-26)19-15-29(37)33-16-17-34-30(38)28-14-8-10-23-9-6-7-13-27(23)28;/h3-14,20-22H,2,15-19H2,1H3,(H-,33,34,37,38);1H