1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-(1-ethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

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