1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C22H24ClN3+2 MolecularWeight: 365.89906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H22ClN3/c23-20-11-9-19(10-12-20)22(18-6-2-1-3-7-18)26-16-14-25(15-17-26)21-8-4-5-13-24-21/h1-13,22H,14-17H2/p+2/t22-/m0/s1