4-ethoxy-N-[(2R)-3-methyl-1-oxidanylidene-1-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]benzamide

Systemtic Name: 4-ethoxy-N-[(2R)-3-methyl-1-oxidanylidene-1-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]benzamide Openeye Name: N-[(1R)-1-[[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-[(2R)-1-[[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2R)-1-[[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: N-[(1R)-1-[[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2-methyl-propyl]-4-ethoxy-benzamide Formula: C27H37N4O4+ MolecularWeight: 481.60708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H36N4O4/c1-4-35-23-12-10-20(11-13-23)26(33)30-25(19(2)3)27(34)29-22-14-16-31(17-15-22)18-24(32)28-21-8-6-5-7-9-21/h5-13,19,22,25H,4,14-18H2,1-3H3,(H,28,32)(H,29,34)(H,30,33)/p+1/t25-/m1/s1