1-[2-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C26H29N6O+ MolecularWeight: 441.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H28N6O/c1-19-5-2-3-8-24(19)29-26(33)30-25-10-14-28-32(25)22-11-15-31(16-12-22)18-21-7-4-6-20-17-27-13-9-23(20)21/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H2,29,30,33)/p+1