2-azanyl-4,5-dimethyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-4,5-dimethyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrole-3-carbonitrile Openeye Name: 2-amino-4,5-dimethyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrole-3-carbonitrile CAS Name: 2-amino-4,5-dimethyl-1-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrrolecarbonitrile IUPAC Name: 2-amino-4,5-dimethyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrole-3-carbonitrile Traditional Name: 2-amino-4,5-dimethyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrole-3-carbonitrile Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N)CC[NH+]2CCOCC2)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N)CC[NH+]2CCOCC2)C

InChI

InChI=1S/C13H20N4O/c1-10-11(2)17(13(15)12(10)9-14)4-3-16-5-7-18-8-6-16/h3-8,15H2,1-2H3/p+1