N-[3,5-bis(chloranyl)phenyl]-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3,5-dichlorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3,5-dichlorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3,5-dichlorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3,5-dichlorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide Formula: C20H24Cl2N3O+ MolecularWeight: 393.33006

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23Cl2N3O/c21-17-13-18(22)15-19(14-17)23-20(26)25-9-4-8-24(11-12-25)10-7-16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,23,26)/p+1