1-(3-ethylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-ethylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3S/c1-2-17-8-7-11-20(14-17)23-21(25)22-15-18-9-3-4-10-19(18)16-24-12-5-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H2,22,23,25)/p+1