1-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethyl-piperidin-1-ium-3-carboxylic acid

Systemtic Name: 1-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethyl-piperidin-1-ium-3-carboxylic acid Openeye Name: 1-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-phenethyl-piperidin-1-ium-3-carboxylic acid CAS Name: 1-[[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]amino]-oxomethyl]-1-phenethyl-3-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethylpiperidin-1-ium-3-carboxylic acid Traditional Name: 1-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-phenethyl-piperidin-1-ium-3-carboxylic acid Formula: C28H32N5O3+ MolecularWeight: 486.58538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)[N+]3(CCCC(C3)C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)[N+]3(CCCC(C3)C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O3/c1-28(25-18-30-20-31-25,16-22-9-11-23(17-29)12-10-22)32-27(36)33(14-5-8-24(19-33)26(34)35)15-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,18,20,24H,5,8,13-16,19H2,1H3,(H2-,30,31,32,34,35,36)/p+1