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

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-4-13-24-14-11-19(12-15-24)22-23-21(26)18-7-9-20(10-8-18)25-16(2)5-6-17(25)3/h5-10H,4,11-15H2,1-3H3,(H,23,26)/p+1