[1-[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]-4-piperidyl]ammonium CAS Name: [1-[(2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxo-2-phenylethyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylacetyl]piperidin-4-yl]azanium Traditional Name: [1-[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]-4-piperidyl]ammonium Formula: C19H31N3O+2 MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)N3CCC(CC3)[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)N3CCC(CC3)[NH3+]

InChI

InChI=1S/C19H29N3O/c1-15-6-5-11-22(14-15)18(16-7-3-2-4-8-16)19(23)21-12-9-17(20)10-13-21/h2-4,7-8,15,17-18H,5-6,9-14,20H2,1H3/p+2/t15-,18+/m0/s1