[(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(1S)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-benzyl-methyl-ammonium CAS Name: [(2S)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2S)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-benzyl-methylazanium Traditional Name: [(1S)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-benzyl-methyl-ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-14(2)17(18(22)21-11-9-16(19)10-12-21)20(3)13-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13,19H2,1-3H3/p+2/t17-/m0/s1