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

Systemtic Name: 1-benzothiophen-2-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS/c1-16-6-2-3-8-18(16)15-22-10-12-23(13-11-22)21(24)20-14-17-7-4-5-9-19(17)25-20/h2-9,14H,10-13,15H2,1H3/p+1