tert-butyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)31-24(30)27-22-13-11-19(12-14-22)23(29)26-17-20-9-5-6-10-21(20)18-28-15-7-4-8-16-28/h5-6,9-14H,4,7-8,15-18H2,1-3H3,(H,26,29)(H,27,30)/p+1