N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(4-mesylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NCCC[NH+]2CCCC2

InChI

InChI=1S/C16H26N2O2S/c1-14(17-10-5-13-18-11-3-4-12-18)15-6-8-16(9-7-15)21(2,19)20/h6-9,14,17H,3-5,10-13H2,1-2H3/p+1/t14-/m0/s1