[4-(diethylamino)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: [4-(diethylamino)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(diethylamino)phenyl]methanethione CAS Name: [4-(diethylamino)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(diethylamino)phenyl]methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(diethylamino)phenyl]methanethione Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3S/c1-3-24(4-2)21-12-10-20(11-13-21)22(26)25-16-14-23(15-17-25)18-19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3/p+1