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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H32N4O/c1-2-22-13-15-24(16-14-22)19-9-7-18(8-10-19)21-20(25)17-23-11-5-3-4-6-12-23/h7-10H,2-6,11-17H2,1H3,(H,21,25)/p+2