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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)N5CCC6=CC=CC=C65

Isomeric SMILES

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)N5CCC6=CC=CC=C65

InChI

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