N-tert-butyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-tert-butyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-tert-butyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-tert-butyl-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-tert-butyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O/c1-24(2,3)25-23(28)21-11-18-27(19-12-21)22-13-16-26(17-14-22)15-7-10-20-8-5-4-6-9-20/h4-6,8-9,21-22H,7,10-19H2,1-3H3,(H,25,28)/p+1