1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H36N4O2S+2 MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC[NH+]2CCOCC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCC[NH+]2CCOCC2)[NH+]3CCCCC3

InChI

InChI=1S/C21H34N4O2S/c1-26-19-7-5-18(6-8-19)20(25-10-3-2-4-11-25)17-23-21(28)22-9-12-24-13-15-27-16-14-24/h5-8,20H,2-4,9-17H2,1H3,(H2,22,23,28)/p+2/t20-/m0/s1