tert-butyl N-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[(1-propyl-4-piperidin-1-iumyl)amino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]carbamate Traditional Name: N-[4-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-5-12-23-13-10-17(11-14-23)21-18(24)15-6-8-16(9-7-15)22-19(25)26-20(2,3)4/h6-9,17H,5,10-14H2,1-4H3,(H,21,24)(H,22,25)/p+1