2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C25H39N4O2+ MolecularWeight: 427.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C25H38N4O2/c1-25(2,3)26-23(30)20-27-16-18-29(19-17-27)24(31)13-10-21-8-11-22(12-9-21)28-14-6-4-5-7-15-28/h8-13H,4-7,14-20H2,1-3H3,(H,26,30)/p+1/b13-10+