1-[(1S)-2-methyl-1-phenyl-propyl]-3-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-[(1S)-2-methyl-1-phenyl-propyl]-3-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-[(1S)-2-methyl-1-phenyl-propyl]-3-[(2-morpholinopyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[(1S)-2-methyl-1-phenylpropyl]-3-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(1S)-2-methyl-1-phenylpropyl]-3-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-[(1S)-2-methyl-1-phenyl-propyl]-3-[(2-morpholinopyridin-1-ium-4-yl)methyl]urea Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCOCC3

Isomeric SMILES

CC(C)[C@@H](C1=CC=CC=C1)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCOCC3

InChI

InChI=1S/C21H28N4O2/c1-16(2)20(18-6-4-3-5-7-18)24-21(26)23-15-17-8-9-22-19(14-17)25-10-12-27-13-11-25/h3-9,14,16,20H,10-13,15H2,1-2H3,(H2,23,24,26)/p+1/t20-/m0/s1