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

Systemtic Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: piperidino-[(3S)-1-veratrylpiperidin-1-ium-3-yl]methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H30N2O3/c1-24-18-9-8-16(13-19(18)25-2)14-21-10-6-7-17(15-21)20(23)22-11-4-3-5-12-22/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3/p+1/t17-/m0/s1