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

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(3,5-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3,5-dichlorophenyl)-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-benzyl-N-(3,5-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(3,5-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H22Cl2N3O+ MolecularWeight: 379.30348

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H21Cl2N3O/c20-16-11-17(21)13-18(12-16)22-19(25)24-8-4-7-23(9-10-24)14-15-5-2-1-3-6-15/h1-3,5-6,11-13H,4,7-10,14H2,(H,22,25)/p+1