(3S)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: benzofurazan-4-ylmethyl-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]amine Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC=CC4=NON=C43

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC=CC4=NON=C43

InChI

InChI=1S/C20H24N4O2/c1-25-18-8-2-5-15(11-18)13-24-10-4-7-17(14-24)21-12-16-6-3-9-19-20(16)23-26-22-19/h2-3,5-6,8-9,11,17,21H,4,7,10,12-14H2,1H3/p+1/t17-/m0/s1