N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2R)-4-phenylbutan-2-yl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H25N3O2S/c1-16(9-10-17-7-3-2-4-8-17)21-19-12-11-18(15-20-19)25(23,24)22-13-5-6-14-22/h2-4,7-8,11-12,15-16H,5-6,9-10,13-14H2,1H3,(H,20,21)/p+1/t16-/m1/s1