ethyl 3-azanyl-4-(dimethylamino)-1-(phenylmethyl)pyrrolo[3,2-c]pyridin-5-ium-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(dimethylamino)-1-(phenylmethyl)pyrrolo[3,2-c]pyridin-5-ium-2-carboxylate Openeye Name: ethyl 3-amino-1-benzyl-4-(dimethylamino)pyrrolo[3,2-c]pyridin-5-ium-2-carboxylate CAS Name: 3-amino-4-(dimethylamino)-1-(phenylmethyl)-2-pyrrolo[3,2-c]pyridin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-benzyl-4-(dimethylamino)pyrrolo[3,2-c]pyridin-5-ium-2-carboxylate Traditional Name: 3-amino-1-benzyl-4-(dimethylamino)pyrrolo[3,2-c]pyridin-5-ium-2-carboxylic acid ethyl ester Formula: C19H23N4O2+ MolecularWeight: 339.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C=C[NH+]=C2N(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C=C[NH+]=C2N(C)C)N

InChI

InChI=1S/C19H22N4O2/c1-4-25-19(24)17-16(20)15-14(10-11-21-18(15)22(2)3)23(17)12-13-8-6-5-7-9-13/h5-11H,4,12,20H2,1-3H3/p+1