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

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(azocan-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-azocan-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(azocan-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(azocan-1-ium-1-yl)propan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCCCCCC2

InChI

InChI=1S/C18H28N2O2/c1-12-16(15(4)21)13(2)19-17(12)18(22)14(3)20-10-8-6-5-7-9-11-20/h14,19H,5-11H2,1-4H3/p+1/t14-/m0/s1