1-[4-[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N2O4/c1-15(24)22-11-8-17(9-12-22)23-10-4-5-16(14-23)21(25)19-7-6-18(26-2)13-20(19)27-3/h6-7,13,16-17H,4-5,8-12,14H2,1-3H3/p+1/t16-/m0/s1