N-(4-chlorophenyl)-4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-(1-naphthylmethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-(1-naphthalenylmethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-chlorophenyl)-4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-(1-naphthylmethyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24ClN3O/c24-20-9-11-21(12-10-20)25-23(28)27-14-4-13-26(15-16-27)17-19-7-3-6-18-5-1-2-8-22(18)19/h1-3,5-12H,4,13-17H2,(H,25,28)/p+1