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

Systemtic Name: 3-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-3-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide CAS Name: 2-hydroxy-3-methoxy-N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]benzamide IUPAC Name: 2-hydroxy-3-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide Traditional Name: 2-hydroxy-3-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/c1-28-18-9-7-17(8-10-18)25-15-13-24(14-16-25)12-4-11-23-22(27)19-5-3-6-20(29-2)21(19)26/h3,5-10,26H,4,11-16H2,1-2H3,(H,23,27)/p+1