1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3-methoxypropanoyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(3-methoxy-1-oxopropyl)-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3-methoxypropanoyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COCCC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-29-18-12-22(27)26-16-10-21(11-17-26)25-14-8-20(9-15-25)23(28)24-13-7-19-5-3-2-4-6-19/h2-6,20-21H,7-18H2,1H3,(H,24,28)/p+1