[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl]azanium Openeye Name: [(1S)-2-[benzyl(isopropyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(phenylmethyl)-propan-2-ylamino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[benzyl(propan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[benzyl(isopropyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C21H25N3O/c1-15(2)24(14-16-8-4-3-5-9-16)21(25)19(22)12-17-13-23-20-11-7-6-10-18(17)20/h3-11,13,15,19,23H,12,14,22H2,1-2H3/p+1/t19-/m0/s1