(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-1-one Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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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=[NH+]3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O2/c1-13-18(16(4)25)14(2)22-19(13)20(26)15(3)23-9-11-24(12-10-23)17-7-5-6-8-21-17/h5-8,15,22H,9-12H2,1-4H3/p+2/t15-/m0/s1