[(2R)-1-(4-azaniumylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [(1R)-2-(4-azaniumyl-1-piperidyl)-1-methyl-2-oxo-ethyl]-benzyl-isopropyl-ammonium CAS Name: [(2R)-1-(4-ammonio-1-piperidinyl)-1-oxopropan-2-yl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-1-oxopropan-2-yl]-benzyl-propan-2-ylazanium Traditional Name: [(1R)-2-(4-ammoniopiperidino)-2-keto-1-methyl-ethyl]-benzyl-isopropyl-ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)C(C)C(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)[NH3+])[NH+](CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C18H29N3O/c1-14(2)21(13-16-7-5-4-6-8-16)15(3)18(22)20-11-9-17(19)10-12-20/h4-8,14-15,17H,9-13,19H2,1-3H3/p+2/t15-/m1/s1