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

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-(cyclopropylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)NCC5CC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)NCC5CC5

InChI

InChI=1S/C22H30N4O2/c27-21(23-14-16-7-8-16)17-4-3-11-26(15-17)18-9-12-25(13-10-18)22-24-19-5-1-2-6-20(19)28-22/h1-2,5-6,16-18H,3-4,7-15H2,(H,23,27)/p+1/t17-/m0/s1