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

Systemtic Name: 1-(3-methylthiophen-2-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-methyl-2-thienyl)methanimine CAS Name: 1-(3-methyl-2-thiophenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-methylthiophen-2-yl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-[(3-methyl-2-thienyl)methylene]amine Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=NN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)/C=N/N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3S/c1-15-7-12-21-17(15)13-18-20-10-8-19(9-11-20)14-16-5-3-2-4-6-16/h2-7,12-13H,8-11,14H2,1H3/p+1/b18-13+