[3-(azaniumylmethyl)-2-(4-methoxyphenyl)-2-methyl-oxan-3-yl]-(phenylmethyl)azanium

Systemtic Name: [3-(azaniumylmethyl)-2-(4-methoxyphenyl)-2-methyl-oxan-3-yl]-(phenylmethyl)azanium Openeye Name: [3-(azaniumylmethyl)-2-(4-methoxyphenyl)-2-methyl-tetrahydropyran-3-yl]-benzyl-ammonium CAS Name: [3-(ammoniomethyl)-2-(4-methoxyphenyl)-2-methyl-3-oxanyl]-(phenylmethyl)ammonium IUPAC Name: [3-(azaniumylmethyl)-2-(4-methoxyphenyl)-2-methyloxan-3-yl]-benzylazanium Traditional Name: [3-(ammoniomethyl)-2-(4-methoxyphenyl)-2-methyl-tetrahydropyran-3-yl]-benzyl-ammonium Formula: C21H30N2O2+2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCO1)(C[NH3+])[NH2+]CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(C(CCCO1)(C[NH3+])[NH2+]CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O2/c1-20(18-9-11-19(24-2)12-10-18)21(16-22,13-6-14-25-20)23-15-17-7-4-3-5-8-17/h3-5,7-12,23H,6,13-16,22H2,1-2H3/p+2