(phenylmethyl)-[[(3S)-piperidin-1-ium-3-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (phenylmethyl)-[[(3S)-piperidin-1-ium-3-yl]methyl]-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[[(3S)-piperidin-1-ium-3-yl]methyl]ammonium CAS Name: (phenylmethyl)-[[(3S)-3-piperidin-1-iumyl]methyl]-propan-2-ylammonium IUPAC Name: benzyl-[[(3S)-piperidin-1-ium-3-yl]methyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[[(3S)-piperidin-1-ium-3-yl]methyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1CCC[NH2+]C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+](C[C@H]1CCC[NH2+]C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-14(2)18(12-15-7-4-3-5-8-15)13-16-9-6-10-17-11-16/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3/p+2/t16-/m0/s1