1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1,4-diium Formula: C21H26N2S+2 MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C[NH+]3CC[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+2