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

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methylbenzothiophen-2-yl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone Traditional Name: (3-methylbenzothiophen-2-yl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N2O2S/c1-16-19-5-3-4-6-20(19)27-21(16)22(25)24-13-11-23(12-14-24)15-17-7-9-18(26-2)10-8-17/h3-10H,11-15H2,1-2H3/p+1