N-[(4-methoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-p-anisyl-4-(3-thenyl)piperazin-4-ium-1-carboxamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H23N3O2S/c1-23-17-4-2-15(3-5-17)12-19-18(22)21-9-7-20(8-10-21)13-16-6-11-24-14-16/h2-6,11,14H,7-10,12-13H2,1H3,(H,19,22)/p+1