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

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-phenylmethoxybenzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C25H27ClN3O2+ MolecularWeight: 436.95378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O2/c1-28-13-15-29(16-14-28)24-12-9-21(17-23(24)26)27-25(30)20-7-10-22(11-8-20)31-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,30)/p+1