1-(2-methylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-(2-methylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-(o-tolyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-(2-methylphenyl)-3-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-(2-methylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-(o-tolyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCC[NH+]2CCCC2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCC[NH+]2CCCC2

InChI

InChI=1S/C14H21N3O/c1-12-6-2-3-7-13(12)16-14(18)15-8-11-17-9-4-5-10-17/h2-3,6-7H,4-5,8-11H2,1H3,(H2,15,16,18)/p+1