(3S)-3-pyrrolidin-1-yl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-pyrrolidin-1-yl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium Openeye Name: (3S)-3-pyrrolidin-1-yl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium CAS Name: (3S)-3-(1-pyrrolidinyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-pyrrolidin-1-yl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium Traditional Name: (3S)-3-pyrrolidino-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCC(C2)N3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC[C@@H](C2)N3CCCC3)OC)OC

InChI

InChI=1S/C19H30N2O3/c1-22-17-12-19(24-3)18(23-2)11-15(17)13-20-8-6-7-16(14-20)21-9-4-5-10-21/h11-12,16H,4-10,13-14H2,1-3H3/p+1/t16-/m0/s1