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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C21H29N3O2/c1-4-9-24-16(2)14-20(17(24)3)21(26)15-22-10-12-23(13-11-22)18-5-7-19(25)8-6-18/h5-8,14,25H,4,9-13,15H2,1-3H3/p+1