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

Systemtic Name: 1-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-[(3-methyl-1H-indol-2-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=C(C5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C(C5=CC=CC=C5N4)C

InChI

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