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

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-ethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-ethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-ethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-ethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-ethyl-piperidin-1-ium-3-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCNC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H28N4O2/c1-2-21-19(25)15-6-5-11-24(14-15)16-9-12-23(13-10-16)20-22-17-7-3-4-8-18(17)26-20/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,21,25)/p+1/t15-/m0/s1