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

Systemtic Name: N-methyl-N-[(3S)-oxolan-3-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-[(3S)-tetrahydrofuran-3-yl]piperidine-4-carboxamide CAS Name: N-methyl-N-[(3S)-3-oxolanyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(3S)-oxolan-3-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-N-[(3S)-tetrahydrofuran-3-yl]isonipecotamide Formula: C25H40N3O2+ MolecularWeight: 414.604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOC1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCOC1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O2/c1-26(24-13-19-30-20-24)25(29)22-9-17-28(18-10-22)23-11-15-27(16-12-23)14-5-8-21-6-3-2-4-7-21/h2-4,6-7,22-24H,5,8-20H2,1H3/p+1/t24-/m0/s1