N-[(2S)-1-methoxypropan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C24H41N3O2+2 MolecularWeight: 403.60124

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O2/c1-20(19-29-2)25-24(28)22-10-17-27(18-11-22)23-12-15-26(16-13-23)14-6-9-21-7-4-3-5-8-21/h3-5,7-8,20,22-23H,6,9-19H2,1-2H3,(H,25,28)/p+2/t20-/m0/s1