[1-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethanoyl]piperidin-4-yl]azanium

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

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(=O)N3CCC(CC3)[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)N3CCC(CC3)[NH3+]

InChI

InChI=1S/C19H29N3O/c20-17-10-14-22(15-11-17)19(23)18(16-8-4-3-5-9-16)21-12-6-1-2-7-13-21/h3-5,8-9,17-18H,1-2,6-7,10-15,20H2/p+2/t18-/m1/s1