(4-ethylpiperazin-4-ium-1-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methanethione

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methanethione Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(3-methoxy-4-phenylmethoxyphenyl)methanethione IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methoxy-4-phenylmethoxyphenyl)methanethione Traditional Name: (4-benzoxy-3-methoxy-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-3-22-11-13-23(14-12-22)21(26)18-9-10-19(20(15-18)24-2)25-16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3/p+1