N-[4-(azepan-1-yl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H26N4O2/c23-17-13-21(12-9-19-17)14-18(24)20-15-5-7-16(8-6-15)22-10-3-1-2-4-11-22/h5-8H,1-4,9-14H2,(H,19,23)(H,20,24)/p+1