(3S)-3-methyl-1-[4-(2-methyl-6-prop-2-enyl-phenoxy)butyl]piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-[4-(2-methyl-6-prop-2-enyl-phenoxy)butyl]piperidin-1-ium Openeye Name: (3S)-1-[4-(2-allyl-6-methyl-phenoxy)butyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-3-methyl-1-[4-(2-methyl-6-prop-2-enylphenoxy)butyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[4-(2-methyl-6-prop-2-enylphenoxy)butyl]piperidin-1-ium Traditional Name: (3S)-1-[4-(2-allyl-6-methyl-phenoxy)butyl]-3-methyl-piperidin-1-ium Formula: C20H32NO+ MolecularWeight: 302.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=C(C=CC=C2CC=C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCOC2=C(C=CC=C2CC=C)C

InChI

InChI=1S/C20H31NO/c1-4-9-19-12-7-11-18(3)20(19)22-15-6-5-13-21-14-8-10-17(2)16-21/h4,7,11-12,17H,1,5-6,8-10,13-16H2,2-3H3/p+1/t17-/m0/s1