[(2S)-1-(10-phenylanthracen-9-yl)propan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate

Systemtic Name: [(2S)-1-(10-phenylanthracen-9-yl)propan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(10-phenyl-9-anthryl)ethyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate CAS Name: 4,4-dimethyl-1-piperazin-4-iumcarboxylic acid [(2S)-1-(10-phenyl-9-anthracenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(10-phenylanthracen-9-yl)propan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate Traditional Name: 4,4-dimethylpiperazin-4-ium-1-carboxylic acid [(1S)-1-methyl-2-(10-phenyl-9-anthryl)ethyl] ester Formula: C30H33N2O2+ MolecularWeight: 453.59522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4)OC(=O)N5CC[N+](CC5)(C)C

Isomeric SMILES

C[C@@H](CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4)OC(=O)N5CC[N+](CC5)(C)C

InChI

InChI=1S/C30H33N2O2/c1-22(34-30(33)31-17-19-32(2,3)20-18-31)21-28-24-13-7-9-15-26(24)29(23-11-5-4-6-12-23)27-16-10-8-14-25(27)28/h4-16,22H,17-21H2,1-3H3/q+1/t22-/m0/s1