2-[(4aR)-7-(4-phenylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile

Systemtic Name: 2-[(4aR)-7-(4-phenylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile Openeye Name: 2-[(4aR)-7-(4-phenylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile CAS Name: 2-[(4aR)-7-(4-phenyl-1-piperazin-1-iumyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile IUPAC Name: 2-[(4aR)-7-(4-phenylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile Traditional Name: 2-[(4aR)-7-(4-phenylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]malononitrile Formula: C23H25N4+ MolecularWeight: 357.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=C(C#N)C#N)CCC21)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=CC2=CC(=C(C#N)C#N)CC[C@@H]21)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4/c24-16-21(17-25)19-7-6-18-8-9-23(15-20(18)14-19)27-12-10-26(11-13-27)22-4-2-1-3-5-22/h1-5,14-15,18H,6-13H2/p+1/t18-/m1/s1