N-(3-azanyl-3-oxidanylidene-propyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(CC2)C(=O)NCCC(=O)N)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N2CCC(CC2)C(=O)NCCC(=O)N)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O2/c24-22(28)8-13-25-23(29)20-9-17-27(18-10-20)21-11-15-26(16-12-21)14-4-7-19-5-2-1-3-6-19/h1-3,5-6,20-21H,4,7-18H2,(H2,24,28)(H,25,29)/p+1