1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H29N3O2/c1-15-13-20(17(3)25(15)16(2)18-7-5-4-6-8-18)21(26)14-24-11-9-19(10-12-24)22(23)27/h4-8,13,16,19H,9-12,14H2,1-3H3,(H2,23,27)/p+1/t16-/m1/s1