1-cyclohexyl-3-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-cyclohexyl-3-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-cyclohexyl-thiourea CAS Name: 1-cyclohexyl-3-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-cyclohexylthiourea Traditional Name: 1-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-cyclohexyl-thiourea Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)N[C@@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3S/c22-18(19-16-9-5-2-6-10-16)20-17-11-12-21(14-17)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H2,19,20,22)/p+1/t17-/m1/s1