(4-methoxycarbonylphenyl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]-3-pyridyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridinyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-3-yl]methyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[[2-[(3S)-3-hydroxypiperidino]-3-pyridyl]methyl]ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCCC(C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C20H25N3O3/c1-26-20(25)16-8-6-15(7-9-16)12-21-13-17-4-2-10-22-19(17)23-11-3-5-18(24)14-23/h2,4,6-10,18,21,24H,3,5,11-14H2,1H3/p+1/t18-/m0/s1