1-[(S)-(3,4-dichlorophenyl)-pyridin-2-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(3,4-dichlorophenyl)-pyridin-2-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3,4-dichlorophenyl)-(2-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3,4-dichlorophenyl)-(2-pyridinyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3,4-dichlorophenyl)-pyridin-2-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(3,4-dichlorophenyl)-(2-pyridyl)methyl]piperazin-4-ium Formula: C16H18Cl2N3+ MolecularWeight: 323.24022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=N3

InChI

InChI=1S/C16H17Cl2N3/c17-13-5-4-12(11-14(13)18)16(15-3-1-2-6-20-15)21-9-7-19-8-10-21/h1-6,11,16,19H,7-10H2/p+1/t16-/m0/s1