1-(3-morpholin-4-ium-4-ylpropyl)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]thiourea Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=CC=CC(=C2)C=CC3=CC=CC=N3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=CC=CC(=C2)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C21H26N4OS/c27-21(23-11-4-12-25-13-15-26-16-14-25)24-20-7-3-5-18(17-20)8-9-19-6-1-2-10-22-19/h1-3,5-10,17H,4,11-16H2,(H2,23,24,27)/p+1/b9-8+