4-(1,3-benzothiazol-2-ylmethyl)-N-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-benzyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-benzylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-benzyl-piperazin-4-ium-1-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c25-20(21-14-16-6-2-1-3-7-16)24-12-10-23(11-13-24)15-19-22-17-8-4-5-9-18(17)26-19/h1-9H,10-15H2,(H,21,25)/p+1