tert-butyl N-[4-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-22(2,3)28-21(27)24-17-10-8-16(9-11-17)20(26)23-15-18(19-7-6-14-29-19)25-12-4-5-13-25/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,23,26)(H,24,27)/p+1/t18-/m0/s1