(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[oxo-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methyl]-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(propan-2-ylamino)pyridin-1-ium-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]acrylonitrile Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)[N+]2=CC=CC=C2NC(C)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)[N+]2=CC=CC=C2NC(C)C)C

InChI

InChI=1S/C21H26N4O/c1-6-10-24-16(4)12-18(17(24)5)13-19(14-22)21(26)25-11-8-7-9-20(25)23-15(2)3/h7-9,11-13,15H,6,10H2,1-5H3/p+1/b19-13+