2-methyl-1-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-pyrrole-3-carboxamide

Systemtic Name: 2-methyl-1-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-pyrrole-3-carboxamide Openeye Name: 2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-1-(p-tolyl)pyrrole-3-carboxamide CAS Name: 2-methyl-1-(4-methylphenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-phenyl-3-pyrrolecarboxamide IUPAC Name: 2-methyl-1-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenylpyrrole-3-carboxamide Traditional Name: 2-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-phenyl-1-(p-tolyl)pyrrole-3-carboxamide Formula: C28H36N3O+ MolecularWeight: 430.60494

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O/c1-21-13-15-25(16-14-21)31-23(3)26(20-27(31)24-11-5-4-6-12-24)28(32)29-17-9-19-30-18-8-7-10-22(30)2/h4-6,11-16,20,22H,7-10,17-19H2,1-3H3,(H,29,32)/p+1/t22-/m0/s1