[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3OS/c27-23(19-9-5-7-17-6-1-2-8-18(17)19)26-14-12-25(13-15-26)16-22-24-20-10-3-4-11-21(20)28-22/h1-11H,12-16H2/p+1