1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(1-azocanyl)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(azocan-1-yl)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(azocan-1-yl)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c25-20(24-13-7-2-1-3-8-14-24)17-23-15-11-18(12-16-23)21(26)22-19-9-5-4-6-10-19/h4-6,9-10,18H,1-3,7-8,11-17H2,(H,22,26)/p+1