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

Systemtic Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-methylbenzothiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(3-methylbenzothiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H23N3S+2 MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N3S/c1-15-16-6-2-3-7-17(16)23-18(15)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h2-9H,10-14H2,1H3/p+2