4-(2,5-dimethylpyrrol-1-yl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[(1-ethyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C)CC1

Isomeric SMILES

CC[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C)CC1

InChI

InChI=1S/C20H26N4O/c1-4-23-13-11-18(12-14-23)21-22-20(25)17-7-9-19(10-8-17)24-15(2)5-6-16(24)3/h5-10H,4,11-14H2,1-3H3,(H,22,25)/p+1