1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]urea CAS Name: 1-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]urea Traditional Name: 1-benzyl-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]urea Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-17-7-9-19(10-8-17)20(16-24-11-13-26-14-12-24)23-21(25)22-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H2,22,23,25)/p+1/t20-/m0/s1