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

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

CC1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)N3CCC(CC3)[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)N3CCC(CC3)[NH3+]

InChI

InChI=1S/C19H29N3O/c1-15-7-11-21(12-8-15)18(16-5-3-2-4-6-16)19(23)22-13-9-17(20)10-14-22/h2-6,15,17-18H,7-14,20H2,1H3/p+2/t18-/m0/s1