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

Systemtic Name: 4-ethanoyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O4/c1-14-20(16(3)26)15(2)24-21(14)22(27)23-13-19(25-9-11-29-12-10-25)17-5-7-18(28-4)8-6-17/h5-8,19,24H,9-13H2,1-4H3,(H,23,27)/p+1/t19-/m1/s1