[(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-(1-ethoxycarbonyl-4-piperidyl)-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-(1-ethoxycarbonyl-4-piperidinyl)-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-(1-carbethoxy-4-piperidyl)-3-piperidyl]-methyl-ammonium Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O2/c1-3-26-21(25)23-14-11-19(12-15-23)24-13-7-10-20(17-24)22(2)16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3/p+1/t20-/m0/s1