[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O2S/c1-25-19-8-4-2-7-18(19)21(24)23-12-10-22(11-13-23)14-16-15-26-20-9-5-3-6-17(16)20/h2-9,15H,10-14H2,1H3/p+1