2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-6-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-6-chloranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-6-chloro-benzonitrile CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-6-chlorobenzonitrile IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-6-chlorobenzonitrile Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-6-chloro-benzonitrile Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C19H25ClN4O/c20-17-6-5-7-18(16(17)14-21)23-12-10-22(11-13-23)15-19(25)24-8-3-1-2-4-9-24/h5-7H,1-4,8-13,15H2/p+1