1-(4-butylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2CCC[NH+]2CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC[C@H]2CCC[NH+]2CC

InChI

InChI=1S/C18H29N3S/c1-3-5-7-15-9-11-16(12-10-15)20-18(22)19-14-17-8-6-13-21(17)4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H2,19,20,22)/p+1/t17-/m1/s1