(3-chloranyl-4-methoxy-phenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: (3-chloro-4-methoxy-phenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: (3-chloro-4-methoxyphenyl)-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (3-chloro-4-methoxyphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: (3-chloro-4-methoxy-phenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]methanone Formula: C20H30ClN2O2+ MolecularWeight: 365.9174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCCC2CC[NH+]3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCCC3)Cl

InChI

InChI=1S/C20H29ClN2O2/c1-25-19-9-8-16(15-18(19)21)20(24)23-13-6-3-7-17(23)10-14-22-11-4-2-5-12-22/h8-9,15,17H,2-7,10-14H2,1H3/p+1/t17-/m0/s1