[3-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: [3-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[3-(p-tolylmethoxy)phenyl]methanethione CAS Name: [3-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[3-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[3-(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(=C2)C(=S)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C(=S)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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