1-butyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]thiourea CAS Name: 1-butyl-3-[(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]thiourea Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC(=C(C=C1)OC)C[NH+]2CCCC2

Isomeric SMILES

CCCCNC(=S)N/N=C(/C)\C1=CC(=C(C=C1)OC)C[NH+]2CCCC2

InChI

InChI=1S/C19H30N4OS/c1-4-5-10-20-19(25)22-21-15(2)16-8-9-18(24-3)17(13-16)14-23-11-6-7-12-23/h8-9,13H,4-7,10-12,14H2,1-3H3,(H2,20,22,25)/p+1/b21-15-