N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propoxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propoxy-benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propoxy-benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-propoxybenzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propoxybenzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propoxy-benzamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-3-14-27-18-7-4-16(5-8-18)21(26)23-17-6-9-20(19(22)15-17)25-12-10-24(2)11-13-25/h4-9,15H,3,10-14H2,1-2H3,(H,23,26)/p+1