1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea

Systemtic Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Openeye Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea CAS Name: 1-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea IUPAC Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Traditional Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-(3-nitrophenyl)ethyl]thiourea Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H26N4O3S/c1-14(15-5-3-6-16(13-15)21(22)23)19(2)17(25)18-7-4-8-20-9-11-24-12-10-20/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,18,25)/p+1/t14-/m1/s1