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

Systemtic Name: phenyl-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanone Openeye Name: phenyl-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone CAS Name: [2-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]-phenylmethanone IUPAC Name: phenyl-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone Traditional Name: phenyl-[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone Formula: C24H31N3O2+2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c28-23(20-8-2-1-3-9-20)21-10-4-5-11-22(21)24(29)27-18-16-26(17-19-27)15-14-25-12-6-7-13-25/h1-5,8-11H,6-7,12-19H2/p+2