2-(1,3-benzothiazol-2-ylamino)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)CNC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)CNC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(14-22-21-23-18-8-4-5-9-19(18)28-21)25-24-17-10-12-26(13-11-17)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,23)(H,25,27)/p+1