5-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-oxidanyl-benzamide

Systemtic Name: 5-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-5-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide CAS Name: 2-hydroxy-5-methoxy-N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]benzamide IUPAC Name: 2-hydroxy-5-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide Traditional Name: 2-hydroxy-5-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=C(C=CC(=C3)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C22H29N3O4/c1-28-18-6-4-17(5-7-18)25-14-12-24(13-15-25)11-3-10-23-22(27)20-16-19(29-2)8-9-21(20)26/h4-9,16,26H,3,10-15H2,1-2H3,(H,23,27)/p+1