(3R)-1-(anthracen-9-ylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-(anthracen-9-ylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-(9-anthrylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-(9-anthracenylmethyl)-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-(anthracen-9-ylmethyl)-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(9-anthrylmethyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C25H31N2O+ MolecularWeight: 375.52644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C25H30N2O/c1-3-27(4-2)25(28)21-12-9-15-26(17-21)18-24-22-13-7-5-10-19(22)16-20-11-6-8-14-23(20)24/h5-8,10-11,13-14,16,21H,3-4,9,12,15,17-18H2,1-2H3/p+1/t21-/m1/s1