butyl-[(2R,5S)-5-(2-methylphenoxy)hexan-2-yl]azanium

Systemtic Name: butyl-[(2R,5S)-5-(2-methylphenoxy)hexan-2-yl]azanium Openeye Name: butyl-[(1R,4S)-1-methyl-4-(2-methylphenoxy)pentyl]ammonium CAS Name: butyl-[(2R,5S)-5-(2-methylphenoxy)hexan-2-yl]ammonium IUPAC Name: butyl-[(2R,5S)-5-(2-methylphenoxy)hexan-2-yl]azanium Traditional Name: butyl-[(1R,4S)-1-methyl-4-(2-methylphenoxy)pentyl]ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)CCC(C)OC1=CC=CC=C1C

Isomeric SMILES

CCCC[NH2+][C@H](C)CC[C@H](C)OC1=CC=CC=C1C

InChI

InChI=1S/C17H29NO/c1-5-6-13-18-15(3)11-12-16(4)19-17-10-8-7-9-14(17)2/h7-10,15-16,18H,5-6,11-13H2,1-4H3/p+1/t15-,16+/m1/s1