1-(3-morpholin-4-ium-4-ylpropyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]thiourea Openeye Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]thiourea IUPAC Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H33N5OS+2 MolecularWeight: 391.57392

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=S)NCCC[NH+]2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNC(=S)NCCC[NH+]2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N5OS/c27-20(21-9-4-10-24-13-15-26-16-14-24)23-22-19-7-11-25(12-8-19)17-18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2,(H2,21,23,27)/p+2