1-[2-(2-methylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-[2-(2-methylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-[2-(o-tolyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[2-(2-methylphenyl)ethyl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[2-(2-methylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-[2-(o-tolyl)ethyl]-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C20H26N4O/c1-16-6-2-3-7-18(16)9-11-22-20(25)23-15-17-8-10-21-19(14-17)24-12-4-5-13-24/h2-3,6-8,10,14H,4-5,9,11-13,15H2,1H3,(H2,22,23,25)/p+1