[(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27NO4/c1-25-19-8-4-6-16(12-19)22(24)17-7-5-11-23(14-17)15-18-13-20(26-2)9-10-21(18)27-3/h4,6,8-10,12-13,17H,5,7,11,14-15H2,1-3H3/p+1/t17-/m0/s1