[(3R,5S)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [(3R,5S)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-ethyl-(phenylmethyl)azanium Openeye Name: [(1R,3S)-1-(azaniumylmethyl)-1-ethyl-3-methyl-pentyl]-benzyl-ethyl-ammonium CAS Name: [(3R,5S)-3-(ammoniomethyl)-5-methylheptan-3-yl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [(3R,5S)-3-(azaniumylmethyl)-5-methylheptan-3-yl]-benzyl-ethylazanium Traditional Name: [(1R,3S)-1-(ammoniomethyl)-1-ethyl-3-methyl-pentyl]-benzyl-ethyl-ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-5-16(4)13-18(6-2,15-19)20(7-3)14-17-11-9-8-10-12-17/h8-12,16H,5-7,13-15,19H2,1-4H3/p+2/t16-,18+/m0/s1