azane; 1-ethyl-4-methyl-2-(4-phenoxyphenyl)-1-(phenylmethyl)piperidin-1-ium-4-ol

Systemtic Name: azane; 1-ethyl-4-methyl-2-(4-phenoxyphenyl)-1-(phenylmethyl)piperidin-1-ium-4-ol Openeye Name: ammonia; 1-benzyl-1-ethyl-4-methyl-2-(4-phenoxyphenyl)piperidin-1-ium-4-ol CAS Name: ammonia; 1-ethyl-4-methyl-2-(4-phenoxyphenyl)-1-(phenylmethyl)-4-piperidin-1-iumol IUPAC Name: azane; 1-benzyl-1-ethyl-4-methyl-2-(4-phenoxyphenyl)piperidin-1-ium-4-ol Traditional Name: ammonia; 1-benzyl-1-ethyl-4-methyl-2-(4-phenoxyphenyl)piperidin-1-ium-4-ol Formula: C27H35N2O2+ MolecularWeight: 419.579

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1C2=CC=C(C=C2)OC3=CC=CC=C3)(C)O)CC4=CC=CC=C4.N

Isomeric SMILES

CC[N+]1(CCC(CC1C2=CC=C(C=C2)OC3=CC=CC=C3)(C)O)CC4=CC=CC=C4.N

InChI

InChI=1S/C27H32NO2.H3N/c1-3-28(21-22-10-6-4-7-11-22)19-18-27(2,29)20-26(28)23-14-16-25(17-15-23)30-24-12-8-5-9-13-24;/h4-17,26,29H,3,18-21H2,1-2H3;1H3/q+1;