[2-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: [2-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(p-tolylmethoxy)phenyl]methanethione CAS Name: [2-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methylbenzyl)oxyphenyl]methanethione Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-21-11-13-23(14-12-21)20-29-25-10-6-5-9-24(25)26(30)28-17-15-27(16-18-28)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3/p+1