1-(4-morpholin-4-ylsulfonylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(4-morpholin-4-ylsulfonylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C23H31N4O3S2+ MolecularWeight: 475.64724

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S2/c28-32(29,27-14-16-30-17-15-27)22-8-6-20(7-9-22)24-23(31)25-21-10-12-26(13-11-21)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2,(H2,24,25,31)/p+1