(3S)-3-[1-[(4-iodophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-3-phenyl-piperidine-2,6-dione

Systemtic Name: (3S)-3-[1-[(4-iodophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-3-phenyl-piperidine-2,6-dione Openeye Name: (3S)-3-[1-[(4-iodophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-3-phenyl-piperidine-2,6-dione CAS Name: (3S)-3-[1-[(4-iodophenyl)methyl]-1-methyl-4-piperidin-1-iumyl]-3-phenylpiperidine-2,6-dione IUPAC Name: (3S)-3-[1-[(4-iodophenyl)methyl]-1-methylpiperidin-1-ium-4-yl]-3-phenylpiperidine-2,6-dione Traditional Name: (3S)-3-[1-(4-iodobenzyl)-1-methyl-piperidin-1-ium-4-yl]-3-phenyl-piperidine-2,6-quinone Formula: C24H28IN2O2+ MolecularWeight: 503.39579

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I

Isomeric SMILES

C[N+]1(CCC(CC1)[C@@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I

InChI

InChI=1S/C24H27IN2O2/c1-27(17-18-7-9-21(25)10-8-18)15-12-20(13-16-27)24(19-5-3-2-4-6-19)14-11-22(28)26-23(24)29/h2-10,20H,11-17H2,1H3/p+1/t20?,24-,27?/m1/s1