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

Systemtic Name: 1-[5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-(4-p-anisylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-14-19(16(3)25)15(2)22-20(14)21(26)24-11-9-23(10-12-24)13-17-5-7-18(27-4)8-6-17/h5-8,22H,9-13H2,1-4H3/p+1