(3S)-1-(phenylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-1-(phenylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(1S)-1-(2-thienyl)ethyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-1-(phenylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(1S)-1-(2-thienyl)ethyl]amine Formula: C17H23N2S+ MolecularWeight: 287.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CS1)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N2S/c1-14(17-8-5-11-20-17)18-16-9-10-19(13-16)12-15-6-3-2-4-7-15/h2-8,11,14,16,18H,9-10,12-13H2,1H3/p+1/t14-,16-/m0/s1