2,3-dihydroindol-1-yl-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydroindol-1-yl-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: indolin-1-yl-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydroindol-1-yl-[1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydroindol-1-yl-[1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: indolin-1-yl-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C28H30N5O+ MolecularWeight: 452.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C32)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C32)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C28H29N5O/c34-28(32-19-14-22-8-4-5-11-26(22)32)23-12-17-30(18-13-23)21-24-20-29-33(25-9-2-1-3-10-25)27(24)31-15-6-7-16-31/h1-11,15-16,20,23H,12-14,17-19,21H2/p+1