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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-19-25(20(2)30(28-19)18-21-7-5-4-6-8-21)26(31)27-17-24(29-13-15-33-16-14-29)22-9-11-23(32-3)12-10-22/h4-12,24H,13-18H2,1-3H3,(H,27,31)/p+1/t24-/m1/s1