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

Systemtic Name: N-tert-butyl-2-[4-(2-naphthalen-2-yloxyethanoyl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2-naphthyloxy)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(2-naphthalenyloxy)-1-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2-naphthoxy)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H31N3O3/c1-23(2,3)24-21(27)16-25-11-6-12-26(14-13-25)22(28)17-29-20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3,(H,24,27)/p+1