4-[(1-methyl-4-phenyl-piperidin-1-ium-4-yl)methyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[(1-methyl-4-phenyl-piperidin-1-ium-4-yl)methyl]-1,4-oxazepan-4-ium Openeye Name: 4-[(1-methyl-4-phenyl-piperidin-1-ium-4-yl)methyl]-1,4-oxazepan-4-ium CAS Name: 4-[(1-methyl-4-phenyl-4-piperidin-1-iumyl)methyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[(1-methyl-4-phenylpiperidin-1-ium-4-yl)methyl]-1,4-oxazepan-4-ium Traditional Name: 4-[(1-methyl-4-phenyl-piperidin-1-ium-4-yl)methyl]-1,4-oxazepan-4-ium Formula: C18H30N2O+2 MolecularWeight: 290.4436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C[NH+]2CCCOCC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)(C[NH+]2CCCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H28N2O/c1-19-11-8-18(9-12-19,17-6-3-2-4-7-17)16-20-10-5-14-21-15-13-20/h2-4,6-7H,5,8-16H2,1H3/p+2