(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-ethoxyphenyl)ethyl]azanium

Systemtic Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-ethoxyphenyl)ethyl]azanium Openeye Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-(4-ethoxyphenyl)ethyl]ammonium CAS Name: (5-cyano-1,2-dimethyl-3-pyrrolyl)methyl-[(1S)-1-(4-ethoxyphenyl)ethyl]ammonium IUPAC Name: (5-cyano-1,2-dimethylpyrrol-3-yl)methyl-[(1S)-1-(4-ethoxyphenyl)ethyl]azanium Traditional Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[(1S)-1-p-phenetylethyl]ammonium Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)[NH2+]CC2=C(N(C(=C2)C#N)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C)[NH2+]CC2=C(N(C(=C2)C#N)C)C

InChI

InChI=1S/C18H23N3O/c1-5-22-18-8-6-15(7-9-18)13(2)20-12-16-10-17(11-19)21(4)14(16)3/h6-10,13,20H,5,12H2,1-4H3/p+1/t13-/m0/s1