5-ethanoyl-2,4-dimethyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide

Systemtic Name: 5-ethanoyl-2,4-dimethyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide Openeye Name: 5-acetyl-N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide CAS Name: 5-acetyl-2,4-dimethyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-1H-pyrrole-3-carboxamide IUPAC Name: 5-acetyl-2,4-dimethyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-pyrrole-3-carboxamide Traditional Name: 5-acetyl-N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)CC(C)C)C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)CC(C)C)C)C(=O)C

InChI

InChI=1S/C25H35N3O2/c1-16(2)13-20-8-10-21(11-9-20)14-28-12-6-7-22(15-28)27-25(30)23-17(3)24(19(5)29)26-18(23)4/h8-11,16,22,26H,6-7,12-15H2,1-5H3,(H,27,30)/p+1/t22-/m0/s1