3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanenitrile IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]propionitrile Formula: C15H21ClN3+ MolecularWeight: 278.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CCC#N)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)CCC#N)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN3/c16-15-5-3-14(4-6-15)13-19-10-2-9-18(11-12-19)8-1-7-17/h3-6H,1-2,8-13H2/p+1