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

Systemtic Name: [(1R)-1-naphthalen-1-ylethyl]-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(1R)-1-(1-naphthyl)ethyl]-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: [(1R)-1-(1-naphthalenyl)ethyl]-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(1R)-1-naphthalen-1-ylethyl]-[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]-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C23H29N3OS+2 MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)[NH2+]CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)[NH2+]CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C23H27N3OS/c1-18(21-10-4-7-19-6-2-3-9-22(19)21)24-16-23(27)26-13-11-25(12-14-26)17-20-8-5-15-28-20/h2-10,15,18,24H,11-14,16-17H2,1H3/p+2/t18-/m1/s1