1-[[2,5-diphenyl-4-(piperidin-1-ium-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidin-1-ium

Systemtic Name: 1-[[2,5-diphenyl-4-(piperidin-1-ium-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidin-1-ium Openeye Name: 1-[[2,5-diphenyl-4-(piperidin-1-ium-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidin-1-ium CAS Name: 1-[[2,5-diphenyl-4-(1-piperidin-1-iumylmethyl)-1H-pyrrol-3-yl]methyl]piperidin-1-ium IUPAC Name: 1-[[2,5-diphenyl-4-(piperidin-1-ium-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidin-1-ium Traditional Name: 1-[[2,5-diphenyl-4-(piperidin-1-ium-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidin-1-ium Formula: C28H37N3+2 MolecularWeight: 415.61348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(NC(=C2C[NH+]3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(NC(=C2C[NH+]3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N3/c1-5-13-23(14-6-1)27-25(21-30-17-9-3-10-18-30)26(22-31-19-11-4-12-20-31)28(29-27)24-15-7-2-8-16-24/h1-2,5-8,13-16,29H,3-4,9-12,17-22H2/p+2