1-(4-butylphenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C21H29N3OS/c1-2-3-7-17-9-11-18(12-10-17)23-21(26)22-16-19(20-8-6-15-25-20)24-13-4-5-14-24/h6,8-12,15,19H,2-5,7,13-14,16H2,1H3,(H2,22,23,26)/p+1/t19-/m1/s1