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

Systemtic Name: 1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-(2-methoxyethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COCCNC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H30N4O3/c1-27-15-10-22-20(26)16-6-11-24(12-7-16)17-8-13-25(14-9-17)21-23-18-4-2-3-5-19(18)28-21/h2-5,16-17H,6-15H2,1H3,(H,22,26)/p+1