N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(S)-(4-chlorophenyl)-cyclopropyl-methyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H23ClN3O2S+ MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC(C3CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N[C@@H](C3CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H22ClN3O2S/c20-16-7-5-15(6-8-16)19(14-3-4-14)22-18-10-9-17(13-21-18)26(24,25)23-11-1-2-12-23/h5-10,13-14,19H,1-4,11-12H2,(H,21,22)/p+1/t19-/m0/s1