[[4-[2-acetamido-3-[(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]phenyl]-azanyl-methylidene]azanium

Systemtic Name: [[4-[2-acetamido-3-[(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]phenyl]-azanyl-methylidene]azanium Openeye Name: [[4-[2-acetamido-3-[(1-cyclohexyl-2-hydroxy-2-oxo-ethyl)amino]-3-oxo-propyl]phenyl]-amino-methylene]ammonium CAS Name: [[4-[2-acetamido-3-[(1-cyclohexyl-2-hydroxy-2-oxoethyl)amino]-3-oxopropyl]phenyl]-aminomethylidene]ammonium IUPAC Name: [[4-[2-acetamido-3-[(1-cyclohexyl-2-hydroxy-2-oxoethyl)amino]-3-oxopropyl]phenyl]-aminomethylidene]azanium Traditional Name: [[4-[2-acetamido-3-[(1-cyclohexyl-2-hydroxy-2-keto-ethyl)amino]-3-keto-propyl]phenyl]-amino-methylene]ammonium Formula: C20H29N4O4+ MolecularWeight: 389.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C(=[NH2+])N)C(=O)NC(C2CCCCC2)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C(=[NH2+])N)C(=O)NC(C2CCCCC2)C(=O)O

InChI

InChI=1S/C20H28N4O4/c1-12(25)23-16(11-13-7-9-15(10-8-13)18(21)22)19(26)24-17(20(27)28)14-5-3-2-4-6-14/h7-10,14,16-17H,2-6,11H2,1H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)/p+1