4-(2-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(2-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2-ethoxyphenoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2-ethoxyphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2-ethoxyphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C25H34N2O3/c1-2-29-23-9-4-5-10-24(23)30-18-8-11-25(28)26-19-21-12-14-22(15-13-21)20-27-16-6-3-7-17-27/h4-5,9-10,12-15H,2-3,6-8,11,16-20H2,1H3,(H,26,28)/p+1