4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: N-(4-methoxyphenyl)-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O4/c1-32-24-9-7-23(8-10-24)28-27(31)22-5-2-20(3-6-22)17-29-12-14-30(15-13-29)18-21-4-11-25-26(16-21)34-19-33-25/h2-11,16H,12-15,17-19H2,1H3,(H,28,31)/p+1