1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane-1,4-diium Formula: C19H25ClN2+2 MolecularWeight: 316.8682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3/p+2/t19-/m0/s1