1-(3-morpholin-4-ium-4-ylpropyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H34N4OS+2 MolecularWeight: 378.57516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H32N4OS/c26-20(21-8-3-11-23-12-14-25-15-13-23)22-16-18-4-6-19(7-5-18)17-24-9-1-2-10-24/h4-7H,1-3,8-17H2,(H2,21,22,26)/p+2