N-tert-butyl-2-[4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-(6-methoxy-2-naphthyl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-(6-methoxy-2-naphthalenyl)-1-oxoprop-2-enyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-(6-methoxy-2-naphthyl)acryloyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C=CC2=CC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)26-23(29)18-27-12-5-13-28(15-14-27)24(30)11-7-19-6-8-21-17-22(31-4)10-9-20(21)16-19/h6-11,16-17H,5,12-15,18H2,1-4H3,(H,26,29)/p+1/b11-7+