2,5-dimethyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[(2R)-2-[3-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyrazole-3-carboxamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC(C)OC2=CC=CC(=C2)C[NH+]3CCSCC3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC[C@@H](C)OC2=CC=CC(=C2)C[NH+]3CCSCC3)C

InChI

InChI=1S/C20H28N4O2S/c1-15-11-19(23(3)22-15)20(25)21-13-16(2)26-18-6-4-5-17(12-18)14-24-7-9-27-10-8-24/h4-6,11-12,16H,7-10,13-14H2,1-3H3,(H,21,25)/p+1/t16-/m1/s1