[4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidino-methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O/c1-15-6-2-3-13-20(15)14-16-7-9-17(10-8-16)18(21)19-11-4-5-12-19/h7-10,15H,2-6,11-14H2,1H3/p+1/t15-/m0/s1