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

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3O2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3O2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H28N4O3/c25-19(21-8-4-9-23-11-13-26-14-12-23)16-5-3-10-24(15-16)20-22-17-6-1-2-7-18(17)27-20/h1-2,6-7,16H,3-5,8-15H2,(H,21,25)/p+1