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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]propionamide Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3OS/c23-17-7-5-16(6-8-17)15-26-13-11-18(12-14-26)24-21(27)9-10-22-25-19-3-1-2-4-20(19)28-22/h1-8,18H,9-15H2,(H,24,27)/p+1