3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyrazole-4-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyrazole-4-carboxamide Traditional Name: 3-(3-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-(p-tolyl)pyrazole-4-carboxamide Formula: C28H31N4O3S+ MolecularWeight: 503.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC(C4=CC=CS4)[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NC[C@@H](C4=CC=CS4)[NH+]5CCOCC5

InChI

InChI=1S/C28H30N4O3S/c1-20-8-10-22(11-9-20)32-19-24(27(30-32)21-5-3-6-23(17-21)34-2)28(33)29-18-25(26-7-4-16-36-26)31-12-14-35-15-13-31/h3-11,16-17,19,25H,12-15,18H2,1-2H3,(H,29,33)/p+1/t25-/m0/s1