(2,4-dimethoxyphenyl)-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-ethyl-4-piperidin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H32N2O3/c1-4-22-12-9-17(10-13-22)23-11-5-6-16(15-23)21(24)19-8-7-18(25-2)14-20(19)26-3/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3/p+1/t16-/m0/s1