2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,5-diphenyl-pyrrole-3-carboxamide

Systemtic Name: 2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,5-diphenyl-pyrrole-3-carboxamide Openeye Name: 2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,5-diphenyl-pyrrole-3-carboxamide CAS Name: 2-methyl-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1,5-diphenyl-3-pyrrolecarboxamide IUPAC Name: 2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,5-diphenylpyrrole-3-carboxamide Traditional Name: 2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,5-diphenyl-pyrrole-3-carboxamide Formula: C27H34N3O+ MolecularWeight: 416.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H33N3O/c1-21-12-9-10-18-29(21)19-11-17-28-27(31)25-20-26(23-13-5-3-6-14-23)30(22(25)2)24-15-7-4-8-16-24/h3-8,13-16,20-21H,9-12,17-19H2,1-2H3,(H,28,31)/p+1/t21-/m0/s1