[(2S)-heptan-2-yl]-(3-indol-1-ylpropyl)azanium

Systemtic Name: [(2S)-heptan-2-yl]-(3-indol-1-ylpropyl)azanium Openeye Name: 3-indol-1-ylpropyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[3-(1-indolyl)propyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-(3-indol-1-ylpropyl)azanium Traditional Name: 3-indol-1-ylpropyl-[(1S)-1-methylhexyl]ammonium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCCN1C=CC2=CC=CC=C21

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCCN1C=CC2=CC=CC=C21

InChI

InChI=1S/C18H28N2/c1-3-4-5-9-16(2)19-13-8-14-20-15-12-17-10-6-7-11-18(17)20/h6-7,10-12,15-16,19H,3-5,8-9,13-14H2,1-2H3/p+1/t16-/m0/s1