4-tert-butyl-N-[3-oxidanylidene-3-[(1-propylpiperidin-1-ium-4-yl)amino]propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[(1-propylpiperidin-1-ium-4-yl)amino]propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-[(1-propylpiperidin-1-ium-4-yl)amino]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-[(1-propyl-4-piperidin-1-iumyl)amino]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-oxo-3-[(1-propylpiperidin-1-ium-4-yl)amino]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[(1-propylpiperidin-1-ium-4-yl)amino]propyl]benzamide Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H35N3O2/c1-5-14-25-15-11-19(12-16-25)24-20(26)10-13-23-21(27)17-6-8-18(9-7-17)22(2,3)4/h6-9,19H,5,10-16H2,1-4H3,(H,23,27)(H,24,26)/p+1