N-tert-butyl-2-[4-[2-(4-chloranylnaphthalen-1-yl)oxyethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-chloranylnaphthalen-1-yl)oxyethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(4-chloro-1-naphthyl)oxy]acetyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(4-chloro-1-naphthalenyl)oxy]-1-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-chloronaphthalen-1-yl)oxyacetyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-chloro-1-naphthoxy)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H31ClN3O3+ MolecularWeight: 432.96354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C23H30ClN3O3/c1-23(2,3)25-21(28)15-26-11-6-12-27(14-13-26)22(29)16-30-20-10-9-19(24)17-7-4-5-8-18(17)20/h4-5,7-10H,6,11-16H2,1-3H3,(H,25,28)/p+1