1-prop-2-enyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-prop-2-enyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-allyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-prop-2-enyl-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-prop-2-enyl-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-allyl-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S/c1-2-9-17-16(20)18-12-14-5-7-15(8-6-14)13-19-10-3-4-11-19/h2,5-8H,1,3-4,9-13H2,(H2,17,18,20)/p+1