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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-p-anisyl-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H27N3OS/c1-25-20-10-8-18(9-11-20)15-23-21(26)22-14-17-4-6-19(7-5-17)16-24-12-2-3-13-24/h4-11H,2-3,12-16H2,1H3,(H2,22,23,26)/p+1