1-[(3-methylthiophen-2-yl)methyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(3-methyl-2-thienyl)methyl]piperazin-1-ium CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[(3-methyl-2-thienyl)methyl]piperazin-1-ium Formula: C17H23N2S+ MolecularWeight: 287.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N2S/c1-15-7-12-20-17(15)14-19-10-8-18(9-11-19)13-16-5-3-2-4-6-16/h2-7,12H,8-11,13-14H2,1H3/p+1