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

Systemtic Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(3-methylbenzothiophen-2-yl)methyl]piperazin-1-ium CAS Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[(3-methylbenzothiophen-2-yl)methyl]piperazin-1-ium Formula: C21H25N2S+ MolecularWeight: 337.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2S/c1-17-19-9-5-6-10-20(19)24-21(17)16-23-13-11-22(12-14-23)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3/p+1