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

Systemtic Name: 1-butyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-butyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-butyl-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-butyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-butyl-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCC2

Isomeric SMILES

CCCCNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCC2

InChI

InChI=1S/C17H27N3S/c1-2-3-10-18-17(21)19-13-15-6-8-16(9-7-15)14-20-11-4-5-12-20/h6-9H,2-5,10-14H2,1H3,(H2,18,19,21)/p+1