1-(3-methylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea Openeye Name: 1-(m-tolyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea CAS Name: 1-(3-methylphenyl)-3-[[1-(4-thiomorpholin-4-iumyl)cyclopentyl]methyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea Traditional Name: 1-(m-tolyl)-3-[(1-thiomorpholin-4-ium-4-ylcyclopentyl)methyl]urea Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2(CCCC2)[NH+]3CCSCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2(CCCC2)[NH+]3CCSCC3

InChI

InChI=1S/C18H27N3OS/c1-15-5-4-6-16(13-15)20-17(22)19-14-18(7-2-3-8-18)21-9-11-23-12-10-21/h4-6,13H,2-3,7-12,14H2,1H3,(H2,19,20,22)/p+1