2-[4-(2-chloranylethanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2-chloranylethanoyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2-chloroacetyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-[4-(2-chloro-1-oxoethyl)-1-piperazinyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-[4-(2-chloroacetyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2-chloroacetyl)piperazino]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)CCl)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)CCl)C#N

InChI

InChI=1S/C16H19ClN4O/c17-10-15(22)20-5-7-21(8-6-20)16-13(11-18)9-12-3-1-2-4-14(12)19-16/h9H,1-8,10H2/p+1