[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)azanium

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)azanium Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-tetralin-5-yl-ammonium CAS Name: [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)ammonium IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)azanium Traditional Name: [2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-tetralin-5-yl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC=C2[NH2+]CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C=CC=C2[NH2+]CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O2S/c25-20(15-22-18-8-3-6-16-5-1-2-7-17(16)18)23-10-12-24(13-11-23)21(26)19-9-4-14-27-19/h3-4,6,8-9,14,22H,1-2,5,7,10-13,15H2/p+1