1-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O2/c1-4-7-20-12(2)10-15(13(20)3)16(21)11-19-8-5-14(6-9-19)17(18)22/h4,10,14H,1,5-9,11H2,2-3H3,(H2,18,22)/p+1