N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-phenyl-butanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-phenyl-butanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-phenyl-butanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-N-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-4-phenylbutanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-phenylbutanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-phenyl-butyramide Formula: C26H45N3O2+2 MolecularWeight: 431.6544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2CC[NH+](CC2)CCOC)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN(CC2CC[NH+](CC2)CCOC)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H43N3O2/c1-3-28-16-8-12-25(28)22-29(21-24-14-17-27(18-15-24)19-20-31-2)26(30)13-7-11-23-9-5-4-6-10-23/h4-6,9-10,24-25H,3,7-8,11-22H2,1-2H3/p+2/t25-/m0/s1