[4-(phenylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanethione

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanethione CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2,4,5-trimethoxyphenyl)methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanethione Traditional Name: asaryl-(4-benzylpiperazin-4-ium-1-yl)methanethione Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H26N2O3S/c1-24-18-14-20(26-3)19(25-2)13-17(18)21(27)23-11-9-22(10-12-23)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3/p+1