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

Systemtic Name: tert-butyl N-[4-[2-oxidanylidene-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-oxo-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]ethyl]phenyl]carbamate CAS Name: N-[4-[2-oxo-2-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]ethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-oxo-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]ethyl]phenyl]carbamate Traditional Name: N-[4-[2-keto-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]ethyl]phenyl]carbamic acid tert-butyl ester Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-23(2,3)29-22(28)25-18-10-8-17(9-11-18)15-21(27)24-16-19(20-7-6-14-30-20)26-12-4-5-13-26/h6-11,14,19H,4-5,12-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/p+1/t19-/m0/s1