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

Systemtic Name: 1-[4-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-methyl-2-thienyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-methyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-methyl-2-thienyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C18H22N2OS/c1-14-7-12-22-18(14)13-19-8-10-20(11-9-19)17-5-3-16(4-6-17)15(2)21/h3-7,12H,8-11,13H2,1-2H3/p+1