(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H29N3O2/c1-18-17-24(19(2)28(18)22-7-5-4-6-8-22)25(30)20(3)26-13-15-27(16-14-26)21-9-11-23(29)12-10-21/h4-12,17,20,29H,13-16H2,1-3H3/p+1/t20-/m0/s1