N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[(Z)-[2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]methyleneamino]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolyl]methylideneamino]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[(Z)-[2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]methyleneamino]-2-morpholin-4-ium-4-yl-acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C=NNC(=O)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)/C=N\NC(=O)C[NH+]3CCOCC3)C

InChI

InChI=1S/C20H26N4O2/c1-15-6-4-5-7-19(15)24-16(2)12-18(17(24)3)13-21-22-20(25)14-23-8-10-26-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+1/b21-13-