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

Systemtic Name: 1-(4-methylphenyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-(p-tolyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-(4-methylphenyl)-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-(p-tolyl)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C18H22N4O/c1-14-4-6-16(7-5-14)21-18(23)20-13-15-8-9-19-17(12-15)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H2,20,21,23)/p+1