[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(4-ethoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidino]methanone Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC(C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC[C@@H](C3)C)OC

InChI

InChI=1S/C22H34N2O3/c1-4-27-20-8-7-18(14-21(20)26-3)16-23-12-9-19(10-13-23)22(25)24-11-5-6-17(2)15-24/h7-8,14,17,19H,4-6,9-13,15-16H2,1-3H3/p+1/t17-/m0/s1