2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H29N3O3/c1-16-14-20(17(2)24(16)12-13-27-3)21(26)15-22-8-10-23(11-9-22)18-4-6-19(25)7-5-18/h4-7,14,25H,8-13,15H2,1-3H3/p+1