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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O2/c1-3-4-13-25(2)22(28)18-8-7-14-27(17-18)19-11-15-26(16-12-19)23-24-20-9-5-6-10-21(20)29-23/h5-6,9-10,18-19H,3-4,7-8,11-17H2,1-2H3/p+1/t18-/m0/s1