1-(4-ethoxyphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-p-phenetyl-thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-2-24-19-10-8-17(9-11-19)21-20(25)22-18-12-13-23(15-18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3,(H2,21,22,25)/p+1/t18-/m0/s1