(diphenylmethyl)-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: (diphenylmethyl)-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: benzhydryl-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: (diphenylmethyl)-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: benzhydryl-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: benzhydryl-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]ammonium Formula: C24H29N3OS+2 MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3OS/c28-23(27-15-13-26(14-16-27)19-22-12-7-17-29-22)18-25-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,24-25H,13-16,18-19H2/p+2