N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methoxy-benzamide

Systemtic Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methoxy-benzamide Openeye Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methoxy-benzamide CAS Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-methoxybenzamide IUPAC Name: N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-methoxybenzamide Traditional Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methoxy-benzamide Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C3=CC(=CC=C3)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C3=CC(=CC=C3)OC)C#N)C

InChI

InChI=1S/C22H22N4O2/c1-14-9-15(2)19-12-17(13-23)21(26-20(19)10-14)24-7-8-25-22(27)16-5-4-6-18(11-16)28-3/h4-6,9-12H,7-8H2,1-3H3,(H,24,26)(H,25,27)/p+1