1-(3-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(3-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(3-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-(m-tolyl)thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3OS/c1-19-7-5-10-21(17-19)25(18-20-8-3-2-4-9-20)22(27)23-11-6-12-24-13-15-26-16-14-24/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,23,27)/p+1