(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-cyclopropyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclopropylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)NC5CC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)NC5CC5

InChI

InChI=1S/C21H28N4O2/c26-20(22-16-7-8-16)15-4-3-11-25(14-15)17-9-12-24(13-10-17)21-23-18-5-1-2-6-19(18)27-21/h1-2,5-6,15-17H,3-4,7-14H2,(H,22,26)/p+1/t15-/m0/s1