1-(4-ethoxyphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-p-phenetyl-thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3OS/c1-2-25-19-12-10-18(11-13-19)23-21(26)22-16-20(24-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20H,2,6-7,14-16H2,1H3,(H2,22,23,26)/p+1/t20-/m1/s1