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

Systemtic Name: tert-butyl N-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[[4-(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=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)31-24(30)27-22-13-11-21(12-14-22)23(29)26-17-19-7-9-20(10-8-19)18-28-15-5-4-6-16-28/h7-14H,4-6,15-18H2,1-3H3,(H,26,29)(H,27,30)/p+1