(2-methoxy-5-methyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-5-methyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-5-methyl-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxy-5-methylphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-5-methylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxy-5-methyl-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22N2O2S/c1-14-3-4-17(22-2)16(11-14)18(21)20-8-6-19(7-9-20)12-15-5-10-23-13-15/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1