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

Systemtic Name: tert-butyl N-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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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+]3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C24H31N3O3/c1-24(2,3)30-23(29)26-21-12-10-20(11-13-21)22(28)25-16-18-6-8-19(9-7-18)17-27-14-4-5-15-27/h6-13H,4-5,14-17H2,1-3H3,(H,25,28)(H,26,29)/p+1