ethyl 4-[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[4-methoxy-3-(methoxymethyl)benzyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)COC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)COC

InChI

InChI=1S/C22H35N3O4/c1-4-29-22(26)25-12-10-24(11-13-25)20-6-5-9-23(16-20)15-18-7-8-21(28-3)19(14-18)17-27-2/h7-8,14,20H,4-6,9-13,15-17H2,1-3H3/p+1/t20-/m0/s1