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

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[3-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)isonipecotamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c26-20(22-11-6-14-24-12-4-1-5-13-24)17-9-15-25(16-10-17)21-23-18-7-2-3-8-19(18)27-21/h2-3,7-8,17H,1,4-6,9-16H2,(H,22,26)/p+1