4-butoxy-N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]benzamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-2-3-17-31-23-11-9-21(10-12-23)25(30)26-18-24(29)27-22-13-15-28(16-14-22)19-20-7-5-4-6-8-20/h4-12,22H,2-3,13-19H2,1H3,(H,26,30)(H,27,29)/p+1