3-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)propionamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c26-21(10-11-22-24-19-8-4-5-9-20(19)27-22)23-18-12-14-25(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)/p+1