N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C26H42N3O3+ MolecularWeight: 444.62998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COCCO1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN(C[C@H]1COCCO1)C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H41N3O3/c1-27(20-25-21-31-18-19-32-25)26(30)23-9-16-29(17-10-23)24-11-14-28(15-12-24)13-5-8-22-6-3-2-4-7-22/h2-4,6-7,23-25H,5,8-21H2,1H3/p+1/t25-/m0/s1