methoxycarbonyl-[4-(3-methylphenyl)-4-oxidanyl-4-phenyl-butyl]-di(propan-2-yl)azanium

Systemtic Name: methoxycarbonyl-[4-(3-methylphenyl)-4-oxidanyl-4-phenyl-butyl]-di(propan-2-yl)azanium Openeye Name: [4-hydroxy-4-(m-tolyl)-4-phenyl-butyl]-diisopropyl-methoxycarbonyl-ammonium CAS Name: [4-hydroxy-4-(3-methylphenyl)-4-phenylbutyl]-methoxycarbonyl-di(propan-2-yl)ammonium IUPAC Name: [4-hydroxy-4-(3-methylphenyl)-4-phenylbutyl]-methoxycarbonyl-di(propan-2-yl)azanium Traditional Name: carbomethoxy-[4-hydroxy-4-(m-tolyl)-4-phenyl-butyl]-diisopropyl-ammonium Formula: C25H36NO3+ MolecularWeight: 398.55824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCC[N+](C(C)C)(C(C)C)C(=O)OC)(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CCC[N+](C(C)C)(C(C)C)C(=O)OC)(C2=CC=CC=C2)O

InChI

InChI=1S/C25H36NO3/c1-19(2)26(20(3)4,24(27)29-6)17-11-16-25(28,22-13-8-7-9-14-22)23-15-10-12-21(5)18-23/h7-10,12-15,18-20,28H,11,16-17H2,1-6H3/q+1