4-butoxy-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-butoxy-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-butoxy-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-butoxy-N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-butoxy-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)Cl

InChI

InChI=1S/C23H30ClN3O2/c1-3-5-16-29-20-9-6-18(7-10-20)23(28)25-19-8-11-22(21(24)17-19)27-14-12-26(4-2)13-15-27/h6-11,17H,3-5,12-16H2,1-2H3,(H,25,28)/p+1