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

Systemtic Name: 1-[(4-methylphenyl)carbonylamino]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-[(4-methylbenzoyl)amino]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[[(4-methylphenyl)-oxomethyl]amino]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(4-methylbenzoyl)amino]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-(p-toluoylamino)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-14-4-6-16(7-5-14)18(25)22-23-19(26)21-13-15-8-9-20-17(12-15)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)(H2,21,23,26)/p+1