N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3S/c1-18-22-16-24(34-26(22)30(28-18)20-6-4-3-5-7-20)25(31)27-17-23(29-12-14-33-15-13-29)19-8-10-21(32-2)11-9-19/h3-11,16,23H,12-15,17H2,1-2H3,(H,27,31)/p+1/t23-/m1/s1