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

Systemtic Name: methyl-(naphthalen-2-ylmethyl)-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: methyl-(2-naphthylmethyl)-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: methyl-(2-naphthalenylmethyl)-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: [2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C23H29N3OS+2 MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C23H27N3OS/c1-24(16-19-8-9-20-5-2-3-6-21(20)15-19)18-23(27)26-12-10-25(11-13-26)17-22-7-4-14-28-22/h2-9,14-15H,10-13,16-18H2,1H3/p+2