1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-methyl-5-piperidinosulfonyl-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C19H31N4O3S2+ MolecularWeight: 427.60444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O3S2/c1-16-5-6-17(28(24,25)23-8-3-2-4-9-23)15-18(16)21-19(27)20-7-10-22-11-13-26-14-12-22/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,27)/p+1