3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyrazole-4-carboxamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4O2S/c1-17-22(18(2)27(25-17)16-19-7-4-3-5-8-19)23(28)24-15-20(21-9-6-14-30-21)26-10-12-29-13-11-26/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1