N-phenyl-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-phenyl-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-phenyl-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-phenyl-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-phenyl-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-phenyl-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)C[NH+]3CCC(CC3)CCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)C[NH+]3CCC(CC3)CCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N3OS/c26-21(23-18-6-2-1-3-7-18)11-10-17-12-14-25(15-13-17)16-22-24-19-8-4-5-9-20(19)27-22/h1-3,6-7,17H,4-5,8-16H2,(H,23,26)/p+1