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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxy-2-naphthyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(3-methoxy-2-naphthalenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methoxy-2-naphthyl)methanone Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N3O2S/c1-29-21-15-18-7-3-2-6-17(18)14-19(21)24(28)27-12-10-26(11-13-27)16-23-25-20-8-4-5-9-22(20)30-23/h2-9,14-15H,10-13,16H2,1H3/p+1