(5-methylthiophen-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methylthiophen-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methyl-3-thienyl)methanone CAS Name: (5-methyl-3-thiophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methylthiophen-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-methyl-3-thienyl)methanone Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N2OS/c1-14-11-16(13-21-14)17(20)19-9-7-18(8-10-19)12-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3/p+1