2-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

InChI=1S/C24H28N4O/c25-19-20-7-1-2-8-21(20)22-9-3-4-10-23(22)24(29)28-17-15-27(16-18-28)14-13-26-11-5-6-12-26/h1-4,7-10H,5-6,11-18H2/p+1