1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H27N3O5/c1-14(25)16-11-17(22-12-16)21(26)24-9-7-23(8-10-24)13-15-5-6-18(27-2)20(29-4)19(15)28-3/h5-6,11-12,22H,7-10,13H2,1-4H3/p+1