phenethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-prop-2-enyl-piperidin-1-ium-4-yl]azanium

Systemtic Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-prop-2-enyl-piperidin-1-ium-4-yl]azanium Openeye Name: [(2S,4S,5S)-4-allyl-1,2,5-trimethyl-piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-prop-2-enyl-4-piperidin-1-iumyl]ammonium IUPAC Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-yl]azanium Traditional Name: [(2S,4S,5S)-4-allyl-1,2,5-trimethyl-piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C19H32N2+2 MolecularWeight: 288.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(CC=C)[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[C@]([C@H](C[NH+]1C)C)(CC=C)[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C19H30N2/c1-5-12-19(14-17(3)21(4)15-16(19)2)20-13-11-18-9-7-6-8-10-18/h5-10,16-17,20H,1,11-15H2,2-4H3/p+2/t16-,17-,19-/m0/s1