1-(2-methylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(o-tolyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(2-methylphenyl)-3-[4-(1-piperidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(o-tolyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3O/c1-16-7-3-4-8-19(16)22-20(24)21-18-11-9-17(10-12-18)15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,21,22,24)/p+1