1-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-[(1-methyl-3-indolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C26H30N6O/c1-19-7-3-5-9-23(19)28-26(33)29-25-11-14-27-32(25)21-12-15-31(16-13-21)18-20-17-30(2)24-10-6-4-8-22(20)24/h3-11,14,17,21H,12-13,15-16,18H2,1-2H3,(H2,28,29,33)/p+1