[(2R,3S)-2-azaniumyl-3-methyl-pentyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(2R,3S)-2-azaniumyl-3-methyl-pentyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [(2R,3S)-2-azaniumyl-3-methyl-pentyl]-benzyl-isopropyl-ammonium CAS Name: [(2R,3S)-2-ammonio-3-methylpentyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [(2R,3S)-2-azaniumyl-3-methylpentyl]-benzyl-propan-2-ylazanium Traditional Name: [(2R,3S)-2-ammonio-3-methyl-pentyl]-benzyl-isopropyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C[NH+](CC1=CC=CC=C1)C(C)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@H](C[NH+](CC1=CC=CC=C1)C(C)C)[NH3+]

InChI

InChI=1S/C16H28N2/c1-5-14(4)16(17)12-18(13(2)3)11-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12,17H2,1-4H3/p+2/t14-,16-/m0/s1