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

Systemtic Name: tert-butyl N-[[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]benzyl]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)NCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)31-24(30)27-17-20-10-12-22(13-11-20)23(29)26-16-19-6-8-21(9-7-19)18-28-14-4-5-15-28/h6-13H,4-5,14-18H2,1-3H3,(H,26,29)(H,27,30)/p+1