N-[(3S)-oxolan-3-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[(3S)-oxolan-3-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-[(3S)-tetrahydrofuran-3-yl]piperidine-4-carboxamide CAS Name: N-[(3S)-3-oxolanyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3S)-oxolan-3-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-[(3S)-tetrahydrofuran-3-yl]isonipecotamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC(CC2)C(=O)NC3CCOC3)CCCC4=CC=CC=C4

Isomeric SMILES

C1COC[C@H]1NC(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H37N3O2/c28-24(25-22-12-18-29-19-22)21-8-16-27(17-9-21)23-10-14-26(15-11-23)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,21-23H,4,7-19H2,(H,25,28)/p+1/t22-/m0/s1