4-(2-ethoxyphenoxy)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]butanamide

Systemtic Name: 4-(2-ethoxyphenoxy)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]butanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-ethoxyphenoxy)butanamide CAS Name: 4-(2-ethoxyphenoxy)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]butanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-ethoxyphenoxy)butanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-ethoxyphenoxy)butyramide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-2-27-21-11-6-7-12-22(21)28-16-8-13-23(26)24-20-14-15-25(18-20)17-19-9-4-3-5-10-19/h3-7,9-12,20H,2,8,13-18H2,1H3,(H,24,26)/p+1/t20-/m0/s1