tert-butyl N-[4-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[4-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]carbamate Openeye Name: tert-butyl N-[4-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]carbamate CAS Name: N-[4-[oxo-[3-(1-piperidin-1-iumyl)propylamino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]carbamate Traditional Name: N-[4-(3-piperidin-1-ium-1-ylpropylcarbamoyl)phenyl]carbamic acid tert-butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)22-17-10-8-16(9-11-17)18(24)21-12-7-15-23-13-5-4-6-14-23/h8-11H,4-7,12-15H2,1-3H3,(H,21,24)(H,22,25)/p+1