pyrrolidin-1-yl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: pyrrolidin-1-yl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: pyrrolidin-1-yl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-pyrrolidinyl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: pyrrolidin-1-yl-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: pyrrolidino-[(3S)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCC(C2)C(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC[C@@H](C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H30N2O4/c1-24-17-11-15(12-18(25-2)19(17)26-3)13-21-8-6-7-16(14-21)20(23)22-9-4-5-10-22/h11-12,16H,4-10,13-14H2,1-3H3/p+1/t16-/m0/s1