(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O3/c1-14-20(17(4)26)15(2)23-21(14)22(27)16(3)24-10-12-25(13-11-24)18-8-6-7-9-19(18)28-5/h6-9,16,23H,10-13H2,1-5H3/p+1/t16-/m0/s1