(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(3-methoxyphenyl)methyl]azanium

Systemtic Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(3-methoxyphenyl)methyl]azanium Openeye Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: (5-cyano-1,2-dimethyl-3-pyrrolyl)methyl-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: (5-cyano-1,2-dimethylpyrrol-3-yl)methyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-m-anisyl-ammonium Formula: C16H20N3O+ MolecularWeight: 270.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C[NH2+]CC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(N1C)C#N)C[NH2+]CC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H19N3O/c1-12-14(8-15(9-17)19(12)2)11-18-10-13-5-4-6-16(7-13)20-3/h4-8,18H,10-11H2,1-3H3/p+1