tert-butyl N-[3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)29-22(28)25-19-11-7-10-18(14-19)21(27)24-20-12-13-26(16-20)15-17-8-5-4-6-9-17/h4-11,14,20H,12-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/p+1/t20-/m0/s1