2-(1H-indol-3-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 2-(1H-indol-3-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: 2-(1H-indol-3-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(1H-indol-3-yl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC1=CNC2=CC=CC=C21

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C18H28N2/c1-4-14(3)12-16(5-2)19-11-10-15-13-20-18-9-7-6-8-17(15)18/h6-9,13-14,16,19-20H,4-5,10-12H2,1-3H3/p+1/t14-,16-/m0/s1