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

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O2/c1-20(2)25-23(29)19-26-15-17-28(18-16-26)24(30)12-9-21-7-10-22(11-8-21)27-13-5-3-4-6-14-27/h7-12,20H,3-6,13-19H2,1-2H3,(H,25,29)/p+1/b12-9+