1-(3-ethylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-ethylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[4-(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=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3S/c1-2-17-6-5-7-20(14-17)23-21(25)22-15-18-8-10-19(11-9-18)16-24-12-3-4-13-24/h5-11,14H,2-4,12-13,15-16H2,1H3,(H2,22,23,25)/p+1