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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-propoxyphenyl)methanone Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-2-15-27-18-9-7-17(8-10-18)22(26)25-13-11-24(12-14-25)16-21-23-19-5-3-4-6-20(19)28-21/h3-10H,2,11-16H2,1H3/p+1