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

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-4-methoxy-phenyl)methanethione CAS Name: (3-chloro-4-methoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-4-methoxyphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-4-methoxy-phenyl)methanethione Formula: C19H22ClN2OS+ MolecularWeight: 361.90878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H21ClN2OS/c1-23-18-8-7-16(13-17(18)20)19(24)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1