methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+](C)CC1=CC=CC=C1N2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+](C)CC1=CC=CC=C1N2CCCCC2

InChI

InChI=1S/C19H29N3O/c1-4-12-20-19(23)16(2)21(3)15-17-10-6-7-11-18(17)22-13-8-5-9-14-22/h4,6-7,10-11,16H,1,5,8-9,12-15H2,2-3H3,(H,20,23)/p+1/t16-/m0/s1