[3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(quinolin-7-ylmethyl)azanium

Systemtic Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(quinolin-7-ylmethyl)azanium Openeye Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(7-quinolylmethyl)ammonium CAS Name: [3-acetamido-5-[(2-methoxyanilino)-oxomethyl]phenyl]methyl-(7-quinolinylmethyl)ammonium IUPAC Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(quinolin-7-ylmethyl)azanium Traditional Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]benzyl]-(7-quinolylmethyl)ammonium Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC3=C(C=CC=N3)C=C2)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC3=C(C=CC=N3)C=C2)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H26N4O3/c1-18(32)30-23-13-20(17-28-16-19-9-10-21-6-5-11-29-25(21)14-19)12-22(15-23)27(33)31-24-7-3-4-8-26(24)34-2/h3-15,28H,16-17H2,1-2H3,(H,30,32)(H,31,33)/p+1