(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-isobutyl-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-methyl-N-(2-methylpropyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-isobutyl-N-methyl-piperidin-1-ium-3-carboxamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CN(C)C(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H34N4O2/c1-17(2)15-25(3)22(28)18-7-6-12-27(16-18)19-10-13-26(14-11-19)23-24-20-8-4-5-9-21(20)29-23/h4-5,8-9,17-19H,6-7,10-16H2,1-3H3/p+1/t18-/m0/s1