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

Systemtic Name: 1-[4-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-11(2)18(24)21-8-6-20(7-9-21)10-15(23)17-12(3)16(14(5)22)13(4)19-17/h11,19H,6-10H2,1-5H3/p+1