[azanyl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylidene]azanium

Systemtic Name: [azanyl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylidene]azanium Openeye Name: [amino-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylene]ammonium CAS Name: [amino-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methylidene]ammonium IUPAC Name: [amino-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylidene]azanium Traditional Name: [amino-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylene]ammonium Formula: C14H23N3+2 MolecularWeight: 233.35252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=[NH2+])N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=[NH2+])N

InChI

InChI=1S/C14H21N3/c1-11-3-2-8-17(9-11)10-12-4-6-13(7-5-12)14(15)16/h4-7,11H,2-3,8-10H2,1H3,(H3,15,16)/p+2/t11-/m0/s1